Assessment of Sesame and Sweet Almond Oils Efficacy Against Food-Borne and...

[Full title: Assessment of Sesame and Sweet Almond Oils Efficacy Against Food-Borne and Human Illness Microorganisms with Molecular Docking Study]

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OPEN ACCESS International Journal of Pharmacology ISSN 1811-7775 DOI: 10.3923/ijp.2024.403.425 Research Article Assessment of Sesame and Sweet Almond Oils Efficacy Against Food-Borne and Human Illness Microorganisms with Molecular Docking Study 1 Mohamed Abdullah Al Abboud, 1 Abdel-Rahman Mohammed Shater, 2 Hanan Moawad, 1 Abdullah Mashraqi, 1 Yahya Ali and 3 Tarek Mohamed Abdelghany 1 Department of Biology, College of Science, Jazan University, Jazan 45142, Kingdom of Saudi Arabia 2 Department of Plant, Faculty of Science, Fayoum University, Fayoum 63514, Egypt 3 Department of Botany and Microbiology, Faculty of Science, Al-Azhar University, Cairo 11725, Egypt Abstract Background and Objective: Human and food-born pathogenic microorganismʼs resistance to antibiotics has been a significant problem in the last decades. The main objective of this study was to assess the antimicrobial activities of sesame and sweet almond essential oils (EOs) alone and in dual combinations. Materials and Methods: The sesame oil was extracted from the heated sesame seeds at 35 E C utilizing the cold pressing procedure, while almond oil was extracted at temperatures ranging from 50 to 70 E C. Chemical constituents of the used EOs were determined via Gas Chromatography-Mass Spectrometry (GC-MS), antimicrobial activity was detected using well-diffusion method, while antioxidant potential was assessed using 1,1-Diphenyl-2-Picrylhydrazyl (DPPH) method. Results: The GC-MS analysis indicated that sesamin, sesamolin, $ -sitosterol and campesterol represent the main components of sesame essential oil (EO), while $ -sitosterol, glycidol oleate and vitamin E represent the main components of sweet almond EO. Some compounds such as 3-methylpentane, dodecane, (Z)-2-decenal; undec-2-enal, tetradecane, hexadecane, docosane, dihydrodehydrocostus lactone, " -tocopherol and squalene were detected in both sesame and sweet almond EOs. Almond EO was effective against Enterococcus faecalis , Staphylococcus aureus , Escherichia coli and Klebsiella pneumoniae compared to sesame EO. Less IC 50 value (28.19 µg/mL) of sweet almond EO than the IC 50 value (60.5 µg/mL) of sesame EO for DPPH scavenging activity was recorded. Molecular docking interaction indicated sesamin and $ -sitosterol have enough potential to inhibit the proteins of K. pneumoniae (PDB: 8 FFK) and E. faecalis (PDB: 2 OMK). Conclusion: The EOs of sesame and sweet almonds have the potential to inhibit the tested microorganism in vitro and in silico Key words: Antimicrobial activity, sesame oil, sweet almond oil, antioxidant activity, microorganism, molecular docking Citation: Al Abboud, M.A., A.R.M. Shater, H. Moawad, A. Mashraqi, Y. Ali and T.M. Abdelghany, 2024. Assessment of sesame and sweet almond oils efficacy against food-borne and human illness microorganisms with molecular docking study. Int. J. Pharmacol., 20: 403-425 Corresponding Author: Tarek Mohamed Abdelghany, Department of Botany and Microbiology, Faculty of Science, Al-Azhar University, Cairo 11725, Egypt Copyright: © 2024 Mohamed Abdullah Al Abboud et al. This is an open access article distributed under the terms of the creative commons attribution License, which permits unrestricted use, distribution and reproduction in any medium, provided the original author and source are credited. Funding: The author extend their appreciation to the Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia for funding this research work through project number ISP 23-62 Competing Interest: The authors have declared that no competing interest exists Data Availability: All relevant data are within the paper and its supporting information files.

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Int. J. Pharmacol., 20 (3): 403-425, 2024 INTRODUCTION Finding new natural compounds that are effective against pathogenic microorganisms is necessary. Numerous plant-based natural extracts have been studied for their potential as medicines for a range of illnesses. Scientists from a variety of fields are studying plants to find molecules that can combat microbial infections. The problem of drug resistance in microorganisms today is significant. Consequently, plant-based medicines are seen as secure alternatives to synthetic drugs. Particularly, the ability of plant extracts and essential oils (EOs) to act as antimicrobial agents has served as the foundation for a wide range of applications, such as food preservation, pharmaceuticals, alternative medicine and therapies 1-6 . Various EOs, a recently identified non-antibiotic substance, as well as the chemicals that make up these substances, have demonstrated strong combative potential against drug-resistant pathogens 7,8 The EOs are a diverse group of phytochemicals generated by medicinal and fragrant plants for a variety of protective purposes. Since the beginning of time, they have been utilised as both home cures and in conventional medicine 9 . The EOs are recognized to have several biological activities such as antibacterial, antifungal and anti-inflammatory effects. Okoh et al 10 has demonstrated the potential of EOs ability to scavenge free radicals as well as their function in the prevention and treatment of infectious disorders. The fact that EOs break down fast, leaves no hazardous residues and are relatively non-toxic to humans also makes them environmentally beneficial 11 Sesame EO is one of the most significant natural EOs which has been extensively utilized for cooking fish and as a brilliant salad EO in Japan. According to Namiki 12 , sesame EO is a vital component in Ayurvedic remedies in India and is utilized to raise energy and avoid aging in Chinese medicine. Sesame EO includes sesaminollignan, sesamolin and sesamin fractions, which are important in preventing diseases including cancer, hypertension, hypercholesterolemia and ageing. Sesame EO may also be useful in the treatment of illnesses linked to oxidative stress, such as Alzheimerʼs disease, chronic renal failure, atherosclerosis, rheumatoid arthritis and neurological disorders 13 . Sesamol, which possesses stronger antioxidant and antibacterial capabilities than its parent molecule, is also present in greater concentrations in sesame EO 14 . Sallam et al 15 reported that sesame EO decline in the counts of some food-borne microorganisms including E. coli , Staphylococcus aureus , Listeria monocytogenes and Salmonella enterica were meatballs, therefore, they Sallam et al 15 suggest that this EO may use as a food additive for limiting microbial proliferation and prolonging its shelf life throughout storage Bitter almond EO and sweet almond EO are the two varieties of almond EO. Every variety differs in its characteristics and applications. The Prunus amygdalus dulcis (almond) treeʼs fruit is used as a source of sweet almond EO, while P. amygdalus amara represents the source of bitter almonds. In the present investigation, sweet almond EO was applied as an antimicrobial and antioxidant agent. The P. amygdalus dulcis (almond trees) are a native species of Western Asia. Almond trees are currently grown extensively abroad in other regions. The almond tree replaces other nut trees in the Mediterranean regions as a result of its rustic nature and ability to survive in dry climates and droughts 16 The utilization of sweet almond EO has a variety of applications including the food and cosmetic industry as well as alternative medicine to cover numerous health benefits such as anti-inflammatory, immunity-boosting, antihepatotoxicity and modulatory effects on inflammation 17 Moreover, the almond EO displays a rich lipid profile, 63.42-78.03% of monounsaturated and 14.41-27.01% of polyunsaturated fatty acids 18 . It also presents a good dietary supply of antioxidants, like flavonoids, tocopherols and polyphenols 19 . Almond EO is applied to minimize the level of lipase in blood serum 20 , it is also utilized as a soothing treatment of skin allergies and to treat minor cuts and wounds. Other biological utilization such as anticancer 21 , antibacterial against Bacillus subtilis , Staphylococcus aureus and fungi 22 and anti-inflammatory 23 activities were associated with almond EO One of the most popular techniques used in the computer-aided drug design process to find potential inhibitors against different infections is molecular docking. With this ground-breaking approach, the expensive, time-consuming and energy-intensive drug discovery process may be greatly reduced when promising therapeutic compounds are found in huge drug libraries 24,25 . The advantages of these oils in antimicrobial activity, avoid the use of chemical antibiotics that have side effects on body organs, these oils have markedly different aromas and are used in other therapies and are incorporated in dermo-cosmetics, these oils increase peroxisomal fatty acid oxidation and hepatic mitochondrial rate. Moreover, sesame oil raises plasma γ -tocopherol and improves the activity of vitamin E, which is supposed to inhibit cancer and minimize heart disease. Therefore, the current study aimed to evaluate the antimicrobial potential of sesame and sweet almond EOs and their mixture against some food-born and human pathogenic microorganisms, as well as their antioxidant activity 404

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Int. J. Pharmacol., 20 (3): 403-425, 2024 MATERIALS AND METHODS Study area: Some experiments were carried out in the Microbiology Laboratory, Science College of Jazan University, Saudi Arabia, while other experiments were carried out in the Microbiology Laboratory, Science College of Al-Azhar University, Egypt, from March, 2023 to October, 2023 Chemicals and essential oils: The used chemicals in the recent scientific paper were in analytical grade level and were obtained from Sigma-Aldrich (St. Louis, Missouri) including Dimethyl Sulfoxide (DMSO), 2,2-Diphenyl-1-Picrylhydrazyl (DPPH), ascorbic acid, Mueller-Hinton Agar, Sabouraud Dextrose Agar and solvents. Two EOs including sesame and sweet almond were obtained from Albadawia Company for extraction of natural Oils, Mansoura, Dakahlia, Egypt. The description of the oil indicated that the sesame oil was extracted from the heated sesame seeds at 35 E C utilizing the cold pressing procedure, with a moisture content of 4.7%, crude fiber of 2.87% and ash content of 3.21%. While almond oil was extracted at temperatures ranging from 50 to 70 E C, with a moisture content of 4.5%, crude fiber of 3.2% and ash content of 5.11%. Standard two compounds including sesamin and $ -sitosterol were obtained from Sigma-Aldrich, (St. Louis, Missouri, USA) Essential oils analysis by Gas Chromatography-Mass Spectrometry (GC-MS): Thermo Scientificʼs Trace GC 1310-ISQ mass spectrometer and the TG-5 MS direct capillary column (30 m×0.25 mm×0.25 µm film thickness) (THERMO Scientific Corp., Dani, Rome, Italy) were used to analyze the constituents of tested EOs. The temperature of the column oven was first maintained at 50 E C, then raised to 230 E C by 5 E C/min and held for 2 min and then increased to 290 E C by 30 E C/min (as a final temperature) and kept for 2 min. Helium was employed as the carrier gas, with a constant flow rate of 1 mL/min and temperatures of the injector were maintained at 260 E C and the MS transfer line was maintained at 250 E C The solvent delay was 3 min and 1 µL of diluted EOs were automatically injected utilizing Autosampler AS 1300 combined with GC in the split approach. Full mass spectra covering the m/z range of 40-1000 were collected at 70 eV ionization voltages. The temperature of the ion source was fixed at 200 E C. The EOs constituents were recognized via comparison of their mass spectra and retention times with those of NIST 11 and WILEY 09 mass spectral databases. The main constituents (only two compounds including sesamin and $ -sitosterol) were identified by comparing their mass spectra (ranging from 50-600 m/z) with those of authentic constituents which were injected in GC-MS to confirm their identification Antimicrobial activities of essential oils samples: Bacillus subtilis (ATCC 6633), Enterococcus faecalis (ATCC 10541), Staphylococcus aureus (ATTC 25923), Escherichia coli (ATCC 25955), Klebsiella pneumoniae (ATCC 13883), Salmonella typhi (ATCC 6539) Candida albicans (ATCC 10231) and Aspergillus niger were the tested microorganisms. The well-diffusion manner was used to assess the antibacterial activity of EOs. The susceptibility of tested microorganisms to different EOs was tested using Mueller-Hinton Agar plates for bacteria and Sabouraud Dextrose Agar (SDA) for A. niger and C. albicans . A sterile inoculated needle was used to uniformly disperse the 24 hrs old microbial suspension across each plate After the solidification of media, via a 6 mm sterile cork-borer, agar plugs were cut agar medium and each plug was filled with 10 µL of used EOs. The bacterial inoculated plates were incubated at 37 E C for 1 day, while fungal inoculated plates were incubated at 30 E C for 4 days. At the end of the incubation period, the inhibitory zonesʼ diameter (mm) was measured. Considering the microorganismsʼ susceptibility to antibiotics, the following was employed as a positive control: Ketoconazole (100 µg/mL) as antifungal and gentamicin (4 µg/mL) as antibiotic 26 Minimum inhibitory concentration and minimum bactericidal concentration tests: With a little modification, the broth micro-dilution technique was used to establish the minimum inhibitory concentration (MIC) of used EOs for C. albicans and bacteria. Using Muller Hinton broth, a two-fold dilution series of EO was created in the range of 1.95-1000 µL/mL. According to the instructions, microbial suspension was injected into each tube holding the dilution For 24 hrs, tubes were incubated at 37 E C for bacteria and at 28±2 E C for C. albicans for 24 and 48 hrs, respectively. Media without the EOs served as the positive controls. The minimal inhibitory concentration was defined as the lowest concentration at which there was no discernible growth (turbidity). The 96-well microtiter plate was serially diluted with the tested EOs for detection of their minimum bactericidal concentration (MBC) via micro dilution assay, which was then inoculated with tested microorganisms (1×10 6 CFU/mL) and then subsequently incubated at 37 E C for 24 hrs and at 28 E C for 48 hrs for bacteria and C. albicans , respectively. By measuring the absorbance at 660 nm using a microtiter plate reader (SciTech Global Co. Ltd., Jinan City, 405

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Int. J. Pharmacol., 20 (3): 403-425, 2024 Shandong Province, China), bacterial growth was measured. Transferring 5 mL of the contents onto Muller-Hinton Agar (MHA) plates and incubating under identical circumstances allowed the wells with >90% inhibition to be taken into consideration. In the current investigation, the MBC was defined as the lowest concentration of the EOs required to kill the tested bacteria. As a check, well-known antibiotics were used. To further evaluate the bactericidal efficacy of tested EOs, MBC/MIC index was computed 27 Antioxidant activity: According to the approach employed by Al-Rajhi and Abdel Ghany 7 with slight modification, the capacity of sesame, sweet almond EOs and its mixture to scavenge free radicals were assessed using 2,2-Diphenyl-1- Picrylhydrazyl (DPPH) as a synthetic free radical agent. The reaction mixture contained 500 µL of each tested sample, 50 mL of ethyl alcohol and DPPH dissolved in 99.5% ethanol as 0.02%, w/v. The mixture was forcefully agitated and allowed to incubate in the dark. A spectrophotometer (Canfort Laboratory and Education Supplies Co. Ltd., Jinan, China) was used to measure the absorbance at 517 nm after 30 min of incubation. The activity of DPPH radical scavenging was determined as follows: Radical Absorbance at control Absorbance at EO treatment scavenging = ×100 Absorbance at blank activity (%)  The value of IC 50 of EO is defined as the quantity of EO required to inhibit DPPH radical formation by 50%. Ascorbic acid as a synthetic antioxidant was applied as a positive control 5 Experiment of molecular docking: The goal of the molecular docking experiments was to completely comprehend the molecular interactions between the drugs under study and the active sites of the targets. Molecular operating environment (MOE) software was used to conduct the docking research on Dell Core i 7, a 1.99 GHz, machine with a Microsoft Windows 10 operating system. The targetsʼ crystal structures were obtained using the Protein Data Bank (PDB) 24 which is a database of proteins: Enterococcus faecalis protein (PDB: 2 OMK) and K. pneumoniae protein (PDB: 8 FFK). After eliminating the proteinsʼ binding ligand, cofactors and bound water molecules, hydrogen atoms were added. The binding affinity was assessed using the binding free energy and hydrogen bonds that had formed between proteins and molecules. Using RMSD (Root Mean Square Deviation) values, the ideal binding pose was found. Via the study of the structure of 2 OMK protein, a rich electron density was recorded at pyrithiamine pyrophosphate that bound to the enzyme active site. Moreover, this structure also offers a complete perception of the binding pocket for the nucleoside triphosphate and therefore permits a detailed understanding of the catalytic requirements for catalysis of this protein. On the other hand, the structure of 8 FFK allows us to understand the action mechanism for drug recognition. Residues actively participated in this structure molecule at the entrance drug-binding site. Therefore, the exact composition of these entrance residues may play a critical role in substrate specificity and selectivity Statistical analysis: The achieved results were studied through SPSS version 15.0 (SPSS Inc. Chicago, Illinois, USA). The values were presented as the means of three replicates analysis for standard deviation (±SD) calculation RESULTS AND DISCUSSION Essential oils constituent analysis: Although, for numerous years, pluck EOs have been exploited in traditional medicinal applications, during the last decade, EO constituents began to be explored and applied in pharmaceutics as weapons for the control and management of various infections. In the present study, sesame and sweet almond EOs were investigated by Gas Chromatography/Mass Spectrometry (GC/MS) as well as their antimicrobial and antioxidant activities besides molecular docking interaction of the EOʼs main constituents with target ligands of some tested microorganisms. The GC/MS analysis of sesame and sweet almond EOs (Fig. 1-2) reflected the presence of several constituents associated with phenolic steroids, fatty acids, terpenoids, flavonoids and different kinds of ester compounds. Sesame EO was rich in 76 different compounds with different molecular weights and molecular formula (Table 1). According to area (%), (+)- sesamin was the main prevailed detected compound in sesame EO with area 36.59%, followed by sesamolin (20.04%), $ -sitosterol (11.66%), campesterol (4.01%), butyl 9,12-octadecadienoate (2.52%), " -tocopherol (2.77%), stigmasterol (2.02%), octadecanoic acid (1.85%), elaidic acid, methyl ester (1.70%) and glycidyl palmitate (1.58%). The area (%) of the rest detected compounds in sesame EO was less than 1%. Tocotrienol was detected in sesame EO according to Weijian et al 28 . Sesamin and sesamolin as sesame ligninʼs in the current finding was the major content of sesame EO, this result matches with other investigations 29,30 . Numerous biological utilities like anticancer, antihypertensive and minimization of cholesterol, antioxidant and antibacterial 31 406

[Find the meaning and references behind the names: Bis]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 1: GC/MS analysis chromatogram of sesame EO Fig. 2: GC/MS analysis chromatogram of sweet almond EO Table 1: Detected volatile compounds in sesame EO by GC/MS analysis Compound Retention time Area (%) MF MW 3-Methylpentane 5.02 0.07 C 6 H 14 86 Isoleucine 5.38 0.04 C 6 H 13 NO 2 131 5,5-Dimethyl-1,3-diox-2-one 5.52 0.27 C 6 H 10 O 3 130 4-Methyl-2-propyl-1-pentanol 7.13 0.06 C 9 H 20 O 144 1-Propanol, 2,2-bis(methoxymethyl)- 10.12 0.13 C 7 H 16 O 3 148 (5 E)-2,5-Dimethyl-1,5-heptadiene-3,4-diol 10.79 0.21 C 9 H 16 O 2 156 Pinkdpnbfyuwms-Uhfffaoysa-N 12.50 0.27 C 13 H 22 O 4 242 Dodecane 24.02 0.16 C 12 H 26 170 Thymoquinone 24.54 0.06 C 10 H 12 O 2 164 407 100 90 80 70 60 50 40 30 20 10 0 Relative abundance 5.01 12.49 27.87 32.98 40.70 51.87 59.24 68.68 73.82 83.70 0 10 20 30 40 50 60 70 80 90 Time (min) (a) 100 90 80 70 60 50 40 30 20 10 0 Relative abundance 0 10 20 30 40 50 60 70 80 90 Time (min) (b) 5.02 27.92 32.79 46.92 51.86 59.21 73.81 78.24 84.47 68.68 88.31

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Int. J. Pharmacol., 20 (3): 403-425, 2024 Table 1: Continue Compound Retention time Area (%) MF MW (Z)-2-Decenal 25.59 0.11 C 10 H 18 O 154 2,4-Decadienal, (E,E)- 26.97 0.49 C 10 H 16 O 152 Undec-2-enal 30.11 0.14 C 11 H 20 O 168 Tetradecane 32.79 0.21 C 14 H 30 198 1,2-Benzenedicarboxylic acid, dimethyl ester 32.98 0.33 C 10 H 10 O 4 194 Hexadecane 40.70 0.14 C 16 H 34 226 2-Methylhexadecan-1-ol 43.38 0.05 C 17 H 36 O 256 Docosane 44.35 0.05 C 22 H 46 310 Costunolide 46.93 0.10 C 15 H 20 O 2 232 2-cis-9-octadecenyloxyethanol 47.65 0.05 C 20 H 40 O 2 312 1-Chloro-7-heptadecyne 48.74 0.05 C 17 H 31 Cl 270 1-Acetyl-16-methoxyaspidospermidin-17-ol 50.10 0.06 C 22 H 30 N 2 O 3 370 Dihydrodehydrocostus lactone 50.30 0.11 C 15 H 20 O 2 232 9-Hexadecenoic acid 50.52 0.05 C 16 H 30 O 2 254 2,2-Dideutero octadecanal 51.03 0.07 C 18 H 34 D 2 O 270 Methyl 14-methylpentadecanoate 51.41 1.04 C 17 H 34 O 2 270 Dehydrocostus lactone 51.87 0.68 C 15 H 18 O 2 230 2,3-Dihydroxypropyl palmitate 52.72 0.15 C 19 H 38 O 4 330 9-Octadecenoic acid (Z)- 53.34 0.08 C 18 H 34 O 2 282 Ethyl octadecanoate 53.16 0.03 C 20 H 40 O 2 312 Tetraneurin-A-diol 54.27 0.07 C 15 H 20 O 5 280 7-Methyl-Z-tetradecen-1-ol acetate 55.92 0.07 C 17 H 32 O 2 268 Linoleic acid, methyl ester 56.40 0.15 C 19 H 34 O 2 294 Elaidic acid, methyl ester 56.72 1.70 C 19 H 36 O 2 296 10-Octadecenoic acid, methyl ester 56.40 0.02 C 19 H 36 O 2 296 Methyl stearate 57.75 0.60 C 19 H 38 O 2 298 Cis-Vaccenic acid 58.71 0.11 C 18 H 34 O 2 282 Octadecanoic acid 59.24 1.85 C 18 H 36 O 2 284 2-Hydroxy-1-[(palmitoyloxy) methyl]ethyl palmitate 61.64 0.13 C 35 H 68 O 5 568 Glycidol oleate 62.37 0.08 C 21 H 38 O 3 338 2,3-Dihydroxypropyl stearate 63.56 0.11 C 21 H 42 O 4 358 Dasycarpidan-1-methanol, acetate (ester) 63.88 0.09 C 20 H 26 N 2 O 2 326 1-Heptatriacotanol 66.74 0.07 C 37 H 76 O 536 Linolein, 2-mono- 66.92 0.26 C 21 H 38 O 4 354 Glyceryl monooleate 67.20 0.60 C 21 H 40 O 4 356 Octadecanoic acid, 2-hydroxy-1,3-propanediyl di-ester 68.01 0.03 C 39 H 76 O 5 624 Octadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester 68.17 0.15 C 21 H 42 O 4 358 Butyl 9,12-octadecadienoate 68.39 2.52 C 22 H 40 O 2 336 Glycidyl palmitate 69.54 1.58 C 19 H 36 O 3 312 1,2-Benzenedicarboxylic acid 70.43 0.24 C 24 H 38 O 4 390 Hydrocinnamic acid, o-[(1,2,3,4-tetrahydro-2-naphthyl)methyl]- 73.81 0.80 C 20 H 22 O 2 294 (Z,Z)-1,3-dioctadecenoyl glycerol 74.19 0.59 C 39 H 72 O 5 620 Tetrakis(1,1-dimethylethyl)-28-methoxyp entacyclo[19.3.1.1(3,7).1(9,13).1(15,19)] 76.00 0.06 C 45 H 58 O 4 662 Octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-25,26,27-triol 2-Hydroxy-3-[(9 E)-9-octadecenoyloxy]propyl(9 E)-9-octadecenoate 76.29 0.09 C 39 H 72 O 5 620 Olean-12-ene-3,28-diol, (3 $ )- 77.40 0.39 C 30 H 50 O 2 442 (22 S,23 S,25 R)-3-ü-methoxy-16á,23:22,26-diepoxy-5 $ -cholestane 78.12 0.16 C 28 H 46 O 3 430 Squalene 78.22 0.66 C 30 H 50 410 6,8-Di-C- $ -glucosylluteolin 79.64 0.05 C 27 H 30 O 16 610 3',4',7-trimethylquercetin 80.40 0.08 C 18 H 16 O 7 344 Ethyl iso-allocholate 80.70 0.04 C 26 H 44 O 5 436 " -tocopherol 82.81 2.27 C 28 H 48 O 2 416 (+)-Sesamin 83.69 36.59 C 20 H 18 O 6 354 Sesamolin 84.93 20.04 C 20 H 18 O 7 370 Ergosta-5,24(28)-dien-3 $ -ol 85.92 0.40 C 28 H 46 O 398 Campesterol 86.17 4.01 C 28 H 48 O 400 Stigmasterol 86.86 2.02 C 29 H 48 O 412 $ -sitosterol 88.37 11.66 C 29 H 50 O 414 (E)-24-propylidenecholesterol 88.61 2.14 C 30 H 50 O 426 9,10-secoergosta-5,7,10(19),22-tetraene-1,3,25-trio, (3 $ ,5 Z,7 E,22 E)- 89.17 0.22 C 28 H 44 O 3 428 Testosterone cypionate 91.47 1.65 C 27 H 40 O 3 412 Flavone 4'-OH,5-OH,7-di-O-glucoside 91.78 0.38 C 27 H 30 O 15 594 Isochiapin B 93.50 0.08 C 19 H 22 O 6 346 408

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Int. J. Pharmacol., 20 (3): 403-425, 2024 Table 2 shows the 71 compounds that recognized in sweet almond EO at different retention times. The detected compounds were recognized at different area%, for instance, the main area was associated to $ -sitosterol (17.83%), followed by glycidol oleate (12.48%), 2,4-decadienal, (E,E)-(11.63%), vitamin E (7.86% ), squalene (6.24%), linolein, 2-mono-(4.18%), octadecanoic acid (3.29%), stigmasta-5,24(28)-dien-3á-ol, (Z)- (2.80%), 9-octadecenoic acid, methyl ester, (E)-(2.58%), dehydrocostuslactone (2.30%), cis-sitostenone (2.12%), methyl stearate (1.78%), (+)-sesamin (1.97%), glyceryl monooleate (1.27%), campesterol (1.26%) and 3-(methoxymethoxy)-2,3-dimethyl-1-undecene (1.30%). The rest of the other compounds were found at an area (%) of less than 1%. According to the obtained findings Zhao et al 32 , 44 compounds sweet identified in almond EO but methyl stearate, methyl oleate and methyl palmitate represent the main components in this EO. Via GC/MS analysis, methyl stearate; 9-octadecenoic acid (Z)-, methyl ester; hexadecanoic acid and methyl ester was recognized in sweet almond EO 33 Banjanin et al 34 indicated that sweet almond EO is mainly composed of unsaturated fatty acids as well as other phytoconstituents. In the present study, $ -sitosterol represents the major constituent in almond-sweet EO, in another study Matthäus and Özcan 35 found that $ -sitosterol followed by 5-avenasterol, campesterol, 5,24-stigmastadienol, stigmasterol, sitostanol and cholesterol represent main sterols in different samples almond EO. From GC/MS analysis, it is clear that certain compounds were detected in sesame and sweet almond EOs but at different retention times and with different levels of area (%). For example, 3-methylpentane, dodecane, (Z)-2-decenal, 2,4-decadienal (E,E)-, undec-2-enal, tetradecane, hexadecane, docosane, dihydrodehydrocostus lactone, 2-dideutero octadecanal, dehydrocostuslactone, 2,3-dihydroxypropyl palmitate, 9-octadecenoic acid (Z)-, glycidol oleate, isochiapin B, $ -sitosterol, " -tocopherol and squalene were detected in both sesame and sweet almond EOs. Tir et al 36 noticed the occurrence of a peak in the GC-MS chromatogram, which was identified as sesamin. This compound is among the constituents of sesame oil that give notable stability to the oil, besides it is responsible for numerous unique oil health properties. According to Czaplicki et al 37 , $ -sitosterol and sesamin were recognized in sesame oil. Recently, GC-MS was used to identify the four tocopherols, eight phytosterols and 16 fatty acids in different samples of sesame oils 38 . According to Xue et al 39 , $ -sitosterol was detected in sweet almond EO via GC-MS Antimicrobial activity of essential oils: Sesame and sweet almond EOs exhibited antimicrobial activities but with different levels of inhibitions (Table 3 and Fig. 3). More inhibition zones were observed using sweet almond EO than the inhibition zones using sesame EO against all tested bacteria and C. albicans . For example, inhibition zones of E. faecalis , E. coli and S. typhi were 24±0.2, 25±0.3 and 29±0.2 mm using sweet almond EO while it was 21±0.5, 22±0.4 and 27±0.4 mm using sesame oil. A mixture of sesame and sweet almond oils showed synergistic action toward S. aureus , S. typhi and C. albicans , while reflecting antagonistic potential against B. subtilis , E. faecalis and K. pneumoniae , where the effect of EOs mixture was better than the effect of each EO alone. Moreover, both EOs reflected more inhibitory potential against the most tested bacteria and C. albicans compared to the positive control (Ketoconazole/Gentamicin). Stored vegetables paste fortified with sesame EOs were repelled to spoilage fungi and bacteria 40 . Different levels of inhibition zones may depend on the type of test microorganism or the efficacy of the used EO, in this context, a previous report indicated that sesame EO exhibited excellent antibacterial activity against most but not all tested microorganisms by Zaki et al 41 , including Acinetobacter spp., Pseudomonas aeruginosa , Enterobacter spp., E. coli , Staphylococcus spp., Salmonella spp., Serratia spp. and Streptococcus spp Surprisingly, Mohamed et al 42 reported that ciprofloxacin resistance and biofilm-producing K. pneumoniae become sensitive when the ciprofloxacin is loaded with EOs. Gram +ve bacteria were more sensitive than Gram -ve bacteria because of the constitution of their cell wall; however, the results show a special case for the bacterial strain S. typhi , which is a Gram -ve bacterium. These findings may indicate the existence of mechanisms other than cell wall composition for resistance of antibacterial agents, for instance, Alenazy 43 mentioned that multidrug resistance properties of Salmonella are represented by efflux pumps which extrude the antibacterial agents from the bacterial cells. Therefore, scientific investigators focused on the efflux pumps as an antibacterial agent target for novel drug discoveries. In this context, the ability of S. typhi to form biofilm is considered one of the mechanisms for antibacterial agent resistance According to an earlier study, the growth of spoilage bacteria and fungi in the stored potato paste was strongly inhibited by sesame EOs, therefore the utilization of these EOs as an antioxidant, antibacterial agent and coating of food can be applied as suggested by Fallah et al 40 . Unfortunately, the two EOs donʼt exhibit inhibitory action against A. niger However, Uniyal et al 44 , investigated the antifungal potential of sesame EO. They found this EO able to control the growth of Aspergillus spp., that causes aspergilloma. Also, A. niger 409

[Find the meaning and references behind the names: Amine, Deca, Dione, Diene]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Table 2: Detected volatile compounds in sweet almond EO by GC/MS analysis Compound Retention time Area (%) MF MW 3-Methylpentane 5.02 0.13 C 6 H 14 86 2-Methylhexadecan-1-ol 12.47 0.09 C 17 H 36 O 256 p-Cymene 14.95 0.09 C 10 H 14 134 Nonanal 18.45 0.12 C 9 H 18 O 142 Dodecane 24.02 0.48 C 12 H 26 170 1-Cyclohexene-1-acetaldehyde, $ ,2-dimethyl- 24.47 0.38 C 10 H 16 O 152 Propanal, 3-cyclohexylidene-2-methyl- 24.99 0.33 C 10 H 16 O 152 1-Ethynylcycloheptanol 25.15 0.11 C 9 H 14 O 138 2-Decenal, (E)- 25.60 0.41 C 10 H 18 O 154 2,4-Decadienal, (E,E)- 27.91 11.63 C 10 H 16 O 152 Undec-2-enal 30.11 0.44 C 11 H 20 O 168 Tetradecane 32.78 0.65 C 14 H 30 198 Docosane 36.86 0.19 C 22 H 46 310 Hexadecane 40.69 0.37 C 16 H 34 226 13-Heptadecyn-1-ol 43.00 0.12 C 17 H 32 O 252 8-Heptadecene 43.38 0.26 C 17 H 34 238 3',4',7-Trimethylquercetin 44.32 0.17 C 18 H 16 O 7 344 Heptacosane 44.91 0.05 C 27 H 56 380 1-Naphthalenol, 1,2,3,4,4 a,5,6,8 a-octahydro-4 a,8-dimethyl-2-(2-propenyl)- 45.43 0.12 C 15 H 24 O 220 Costunolide 46.92 0.41 C 15 H 20 O 2 232 1 H-Purin-6-amine, [(2-fluorophenyl)methyl]- 49.89 0.07 C 12 H 10 FN 5 243 7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione 50.04 0.18 C 17 H 24 O 3 276 Dihydrodehydrocostus lactone 50.29 1.09 C 15 H 20 O 2 232 2,2-Dideutero octadecanal 51.03 0.12 C 18 H 34 D 2 O 270 Hexadecanoic acid, methyl ester 51.42 0.78 C 17 H 34 O 2 270 Dibutyl phthalate 51.48 0.55 C 16 H 22 O 4 278 Dehydrocostuslactone 51.86 2.30 C 15 H 18 O 2 230 Benzene, (2-decyldodecyl)- 52.12 0.11 C 28 H 50 386 Estra-1,3,5(10)-trien-17 $ -ol 52.69 0.28 C 18 H 24 O 256 9-Octadecenoic acid (z) 53.33 0.20 C 18 H 34 O 2 282 01297107001 Tetraneurin-A-diol 54.26 0.18 C 15 H 20 O 5 280 1 H-purin-6-amine, [(2-fluorophenyl)methyl]- 54.91 0.09 C 12 H 10 FN 5 243 8,11-Octadecadienoic acid, methyl ester 56.39 1.00 C 19 H 34 O 2 294 9-Octadecenoic acid, methyl ester, (E)- 56.70 2.58 C 19 H 36 O 2 296 10-Octadecenoic acid, methyl ester 56.90 0.28 C 19 H 36 O 2 296 Methyl stearate 57.74 1.78 C 19 H 38 O 2 298 Oleic acid 58.37 2.06 C 18 H 34 O 2 282 Octadecanoic acid 59.20 3.29 C 18 H 36 O 2 284 Hexadecanoic acid, 2,3-dihydroxypropyl ester 61.64 0.39 C 19 H 38 O 4 330 Glycidyl palmitate 63.23 2.67 C 20 H 36 O 3 312 2,2,3,3,4,4 Hexadeutero octadecanal 64.71 0.19 C 18 H 30 D 6 O 274 Octadecanoic acid, 2-hydroxy-1,3-propanediyl di-ester 64.81 0.11 C 39 H 76 O 5 624 p-Cresol, 2,2'-methylenebis[6-tert-butyl- 66.22 0.96 C 23 H 32 O 2 340 Glyceryl monooleate 67.19 1.27 C 21 H 40 O 4 356 Stearin, 2-mono- 68.16 0.18 C 21 H 42 O 4 358 Linolein, 2-mono- 68.37 4.18 C 21 H 38 O 4 354 Glycidol oleate 68.68 12.48 C 21 H 38 O 3 338 10-Methoxy-NB-à-methylcorynantheol 70.42 0.38 C 21 H 29 N 2 O 2 341 (Z,Z)-1,3-Dioctadecenoyl glycerol 71.32 0.14 C 39 H 72 O 5 620 2,9-Bis(2',6'-dimethylphenyl)-1,10-phenanthroline 73.22 0.42 C 28 H 24 N 2 388 3-(Methoxymethoxy)-2,3-dimethyl-1-undecene 73.80 1.30 C 15 H 28 D 2 O 2 244 1,3-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester 75.99 0.79 C 24 H 38 O 4 390 Olean-12-ene-3,28-diol 77.39 0.72 C 30 H 50 O 2 442 Squalene 78.24 6.24 C 30 H 50 410 6,8-DI-C- $ -Glucosylluteolin 80.38 0.09 C 27 H 30 O 16 610 " -Tocopherol 82.71 0.27 C 28 H 48 O 2 416 (+)-Sesamin 83.35 1.97 C 20 H 18 O 6 354 Vitamin E 84.74 7.86 C 29 H 50 O 2 430 Campesterol 86.09 1.26 C 28 H 48 O 400 Ethyl iso-allocholate 86.80 0.66 C 26 H 44 O 5 436 $ -sitosterol 88.31 17.83 C 29 H 50 O 414 Stigmasta-5,24(28)-dien-3 $ -ol, (Z)- 88.55 2.80 C 29 H 48 O 412 3-Hydroxyspirost-8-en-11-one 89.16 0.35 C 27 H 40 O 4 428 Isochiapin B 89.44 0.18 C 19 H 22 O 6 346 1-Heptatriacotanol 89.77 0.30 C 37 H 76 O 536 cis-Sitostenone 91.43 2.12 C 29 H 48 O 412 410

[Find the meaning and references behind the names: Zone]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 3(a-h): Antimicrobial activity of sesame (S), sweet almond (SA) EOs, their mixture (M) and standard control (C) against different microorganisms, (a) Staphylococcus aureus , (b) Escherichia coli , (c) Klebsiella pneumoniae , (d) Salmonella typhi , (e) Bacillus subtilis , (f) Enterococcus faecalis , (g) Candida albicans and (h) Aspergillus niger Table 3: Antimicrobial activity of sesame, sweet almond EOs and their mixture Inhibition zone (mm) ------------------------------------------------------------------------------------------------------------------------ Test organisms Sesame EO Sweet almond EO Mixture of EOs *Control Bacillus subtilis (ATCC 6633) 25±0.3 26±0.4 26±0.1 23±0.2 Enterococcus faecalis (ATCC 10541) 21±0.5 24±0.2 23±0.2 15±0.2 Staphylococcus aureus (ATCC 6538) 22±0.1 25±0.1 26±0.2 23±0.3 Escherichia coli (ATCC 8739) 22±0.4 25±0.3 25±0.4 21±0.4 Klebsiella pneumoniae (ATCC 13883) 24±0.3 27±0.2 26±0.4 20±0.2 Salmonella typhi (ATCC 6539) 27±0.4 29±0.2 31±0.2 24±0.2 Candida albicans (ATCC 10221) 26±0.1 27±0.1 28±0.2 25±0.2 Aspergillus niger NA NA NA 22±0.3 *Control: Ketoconazole/Gentamicin for fungi/bacteria 411 (a) SA C M S C SA SA S M M C S SA C M SA S C M S SA C M SA C M S S C SA M (b) (c) (d) (e) (f ) (g) (h) S

[Find the meaning and references behind the names: Change, Agreement, French, High, Seo, Lower, Lange]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Table 4: MIC and MBC of sesame essential oil (SEO) and sweet almond oil (SAEO) against tested microorganisms MIC (µg/mL) MBC (µg/mL) MBC/MIC index ------------------------------------------------------------ ------------------------------------------------------------ ---------------------------------------- Test microbes SEO SAEO Mixture SEO SAEO Mixture SEO SAEO Mixture of Eos Bacillus subtilis 7.83±0.06 7.67±0.23 7.93±0.12 31.33±0.14 7.87±0.15 15.60±0.17 4.00 1.03 1.97 Enterococcus faecalis 31.20±0.09 15.46±0.19 15.61±0.01 62.47±0.06 15.61±0.01 31.25±0.25 2.00 1.01 2.00 Staphylococcus aureus 15.58±0.07 3.93±0.25 3.90±0.17 62.40±0.17 3.90±0.10 7.83±0.15 4.00 0.99 2.00 Escherichia coli 31.17±0.14 3.97±0.21 7.87±0.12 62.57±0.40 7.80±0.17 15.67±0.06 2.00 1.96 1.99 Klebsiella pneumoniae 62.33±0.29 7.93±0.12 15.64±0.05 250.00±5.0 31.25±0.25 62.33±1.26 4.01 3.94 3.99 Salmonella typhi 7.73±0.12 1.97±0.03 1.92±0.20 31.33±0.38 1.96±0.02 3.93±0.25 4.05 0.99 2.04 Candida albicans 15.54±0.07 7.87±0.12 7.83±0.21 31.33±0.14 15.62±0.02 15.61±0.10 2.01 1.98 1.99 Table 5: DPPH scavenging (%) of sesame EO, sweet almond EO and ascorbic acid DPPH scavenging (%) ------------------------------------------------------------------------------------------------------------------------------------------------------ Concentration (µg/mL) Sesame EO Sweet almond EO Mixture of EOs Ascorbic acid 1000 74.9 82.6 77.1 97.1 500 68.9 76.4 71.5 94.6 250 63.2 70.3 65.2 92.6 125 57.2 64.0 58.8 87.9 62.50 50.6 57.6 52.4 80.9 31.25 44.1 51.3 46.5 74.2 15.63 37.7 44.8 39.5 65.9 7.81 31.4 38.1 33.7 59.4 3.90 24.8 31.5 27.3 52.2 1.95 18.6 25.1 21.5 46.3 0 0.0 0.0 0.0 0.0 IC 50 (µg/mL) 60.5 28.19 47.51 2.45 and A. fumigatus were inhibited using sesame EO 22 . Sweet almond EO was used as a food preservative; therefore, the counts of S. aureus were decreased, while E. coli was completely inhibited in the labneh fortified with this EO 45 Also, the antibacterial effects were associated with sweet almond EOs as mentioned 46 MIC and MBC of essential oils: The MIC value of sweet almond EO was very lower (15.46±0.19, 3.93±0.25, 3.97±0.21, 7.93±0.12, 1.97±0.03 and 7.87±0.12 µg/mL) than the MIC value of sesame EO (31.20±0.09, 15.58±0.07, 31.17±0.14, 62.33±0.29, 7.73±0.12 and 15.54±0.07 µg/mL) against all tested microorganisms including E. faecalis , S. aureus , E. coli , K. pneumoniae , S. typhi and C. albicans , respectively except B. subtilis where negligible change in the values of MIC of sesame EO (7.83±0.06 µg/mL) and sweet almond EO (7.67±0.23 µg/mL) (Table 4). Slight minimization of the MIC was observed using a mixture of the two EOs against S. aureus and S. typhi , but unfortunately, the value of MIC increased against the rest of the tested microorganisms. The same observation was recorded in the case MBC, where sweet almond EO exhibited a promising value of MBC particularly S. aureus and S. typhi compared to sesame EO and its mixture (Table 4). In an earlier study, food-borne pathogens were inhibited using sesame EO 14 . According to French 27 , the drug possesses bactericidal properties, if its MBC/MIC value is fewer than 4 times its MIC. Therefore, sesame EO alone has bactericidal activity for E. faecalis , E. coli and C. albicans only, while sweet almond EO alone and the mixture of EOs possess bactericidal activity against all tested microorganisms (Table 4) Antioxidant activity of essential oils: The antioxidant potential of both sesame and sweet almond EOs was evaluated (Table 5). The DPPH scavenging (%) increased with increasing the concentration of EOs and their mixture. Itʼs clear that sweet almond EO possesses high antioxidant capacity compared to sesame EO at all applied concentrations, for instance, DPPH scavenging (%) was 64.0 and 57.2%, respectively at 125 µg/mL and 76.4 and 68.9%, respectively at 500 µg/mL. The IC 50 value of sesame EO (60.5 µg/mL) was more twofold than the IC 50 value of sweet almond EO (28.19 µg/mL). Antioxidant activity of EOs mixture exhibited a higher IC 50 value (47.51 µg/mL) than the IC 50 value of sweet almond EO, indicating the antagonistic action of both EOs. The antioxidant potential of both EOs was compared to the antioxidant potential of ascorbic acid reflecting IC 50 value of 2.45 µg/mL. As mentioned in a Lange et al 47 , the unsaturated fatty acids in plant EO are strongly related to antioxidant properties. Current findings were in agreement with Zhao et al 32 , where who mentioned that sweet almond EO has antioxidant abilities and it is suggested to develop nutritive 412

[Find the meaning and references behind the names: Top, Step, Mol, Singh, Kumar, Rise, Place, Due, Balance, Close, Asp, Atom, Tit, Shown]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Table 6: Docking scores and energies of (+)- sesamin and $ -sitosterol with structure of E. faecalis 2 OMK Mol S rmsd̲refine E̲conf E̲place E̲score 1 E̲refine E̲score 2 (+)- Sesamin -5.12225 2.102249 52.46055 -48.3424 -9.77703 -24.2093 -5.12225 (+)- Sesamin -5.09339 1.992562 54.31136 -78.5494 -10.0509 -25.7701 -5.09339 (+)- Sesamin -5.07636 1.745321 54.56289 -58.7166 -9.97134 -25.3386 -5.07636 (+)- Sesamin -5.07363 2.750735 53.99917 -77.7847 -10.1562 -23.7046 -5.07363 (+)- Sesamin -5.07318 1.607661 53.98363 -76.0768 -10.3108 -25.1755 -5.07318 $ -Sitosterol -5.53883 3.964647 48.76462 -36.6845 -8.16154 -26.4915 -5.53883 $ -Sitosterol -5.24251 2.635749 47.6861 -36.8963 -8.25049 -25.0757 -5.24251 $ -Sitosterol -5.2063 2.8653 41.29132 -17.3072 -8.23689 -25.2824 -5.2063 $ -Sitosterol -5.19076 2.352433 44.24205 -26.4321 -7.96337 -23.7446 -5.19076 $ -Sitosterol -5.18719 2.220733 39.21606 -22.869 -8.09841 -23.8644 -5.18719 Table 7: Docking scores and energies of (+)- sesamin and $ -sitosterol with K. pneumoniae 8 FFK Mol S rmsd̲refine E̲conf E̲place E̲score 1 E̲refine E̲score 2 (+)- Sesamin -7.48578 2.282297 56.78818 -66.2752 -10.3004 -40.3707 -7.48578 (+)- Sesamin -7.17779 1.682334 54.64922 -75.4525 -10.2934 -37.9065 -7.17779 (+)- Sesamin -7.07175 2.061245 64.16233 -48.8616 -9.96928 -36.8002 -7.07175 (+)- Sesamin -6.96311 1.407056 57.97913 -83.9847 -10.2426 -38.3116 -6.96311 (+)- Sesamin -6.91184 3.223817 55.02187 -48.6821 -10.6997 -35.8151 -6.91184 $ -Sitosterol -7.66918 2.597712 57.51109 -45.054 -8.4473 -37.6114 -7.66918 $ -Sitosterol -7.58909 3.061845 86.97365 -82.406 -9.15214 -28.5992 -7.58909 $ -Sitosterol -7.5857 3.641331 58.65593 -58.5693 -9.04714 -40.2255 -7.5857 $ -Sitosterol -7.54364 1.947424 70.5992 -54.9462 -9.35724 -32.893 -7.54364 $ -Sitosterol -7.53889 2.350388 74.87484 -98.6482 -9.51165 -23.8191 -7.53889 antioxidants based on this EO. According to Kumar and Singh 14 , the constituents of sesame EO such as sesamin and sesamolin, are acknowledged for their antioxidant potential. Due to the presence of natural antioxidants in both EOs, the utilisation of these EOs as food additives can minimize the side effects resulting from oxidative stress. Tit and Bungau 48 mentioned that fatty acid content EOs rise in antioxidant potential but a more significant role was associated with the lignan content of EO. The differences between the antioxidant capacities of the two EOs may be due to the quantitative and qualitative differences in EOsʼ chemical composition. For example, as documented by Gharehcheshmeh et al 49 , sweet almond EO includes 95% of oleic acid and linoleic acid as unsaturated fatty acids but sesame EO includes 41% of linoleic acid besides tocopherols and phenolic constituents that play a vital role in the balance of oxidative stress. The antioxidant of yogurt samples supplemented with sweet almond and sesame EOs was estimated via DPPH reflecting IC 50 values 45.35±1.44 and 31.05±2.16 µg/mL, respectively 49 Molecular docking interaction of sesamin and $ -sitosterol: One of the most popular techniques used in the process of computer-aided drug generation to find possible inhibitors against different infections is molecular docking. With this ground-breaking technique, the expensive, time-consuming and energy-intensive drug discovery process can be greatly reduced when promising drug molecules are found in enormous drug libraries. Throughout the current investigation, molecular docking was done using E. faecalis protein (PDB: 2 OMK) and K. pneumoniae protein (PDB: 8 FFK) as inhibitors that interact with (+)- sesamin and $ -sitosterol as ligands The results of the experiments have been further supported by investigations on molecular docking. The two-dimensional and three-dimensional models were displayed with docking scores with higher negative values. Using the top-ranked intermolecular, electrostatic and binding free energies, Table 6 and 7 display the docking results. Figure 4-27 depict the active sites used to discover the interaction of proteins and ligands Based on the docking results shown below were attained: C Docking of (+)- sesamin and $ -sitosterol with K. pneumoniae protein (PDB: 8 FFK) having negative free binding energy of (-7.48578 and -7.66918 kcal/mol, respectively) ratings that are higher than docking with E. faecalis protein (PDB: 2 OMK) which determined to be (-5.12225 and -5.53883 kcal/mol, respectively) C $ -Sitosterol binds to 8 FFK and 2 OMK proteins through hydrogen bonds, demonstrating that it has the highest affinity for binding compared to (+)- sesamin. The experimental research produced the same outcome C It was found that the presence of a wide attractive region close to the ASP 760 and GLU 171 residues corroborates the inhibitor H-donor interactions in 8 FFK and 2 OMK docking respectively with $ -Sitosterol, the results suggested that the O 76 atom may be necessary for the inhibitor complexation step 413

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 4: Molecular docking of (+)- sesamin with 2 OMK (interaction between (+)- sesamin and active sites of 2 OMK protein) Fig. 5: Molecular docking of (+)- sesamin with 2 OMK (identified binding conformation of (+)- sesamin and the corresponding intermolecular interactions) Fig. 6: Molecular docking process of (+)- sesamin with 2 OMK (molecular surface of (+)- sesamin with 2 OMK) 414

[Find the meaning and references behind the names: Map]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 7: Molecular docking of (+)- sesamin with 2 OMK (contact preference of (+)- sesamin with 2 OMK) Fig. 8: Molecular docking of (+)- sesamin with 2 OMK (interaction potential of (+)- sesamin with 2 OMK) Fig. 9: Molecular docking of (+)- sesamin with 2 OMK (electrostatic map of (+)- sesamin with 2 OMK) 415

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 10: Molecular docking of $ -sitosterol with 2 OMK (interaction between $ -sitosterol and active sites of 2 OMK protein) Fig. 11: Molecular docking process of $ -sitosterol with 2 OMK (identified binding conformation of $ -sitosterol and the corresponding intermolecular interactions) Fig. 12: Molecular docking of $ -sitosterol with 2 OMK (molecular surface of $ -sitosterol with 2 OMK) 416

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 13: Molecular docking of $ -sitosterol with 2 OMK (contact preference of $ -sitosterol with 2 OMK) Fig. 14: Molecular docking of $ -sitosterol with 2 OMK (interaction potential of $ -sitosterol with 2 OMK) Fig. 15: Molecular docking of $ -sitosterol with 2 OMK (electrostatic map of $ -sitosterol with 2 OMK) 417

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 16: Molecular docking of (+)- sesamin with 8 FFK (interaction between (+)- sesamin and active sites of 8 FFK protein) Fig. 17: Molecular docking of (+)- sesamin with 8 FFK (identified binding conformation of (+)- sesamin and the corresponding intermolecular interactions) Fig. 18: Molecular docking of (+)- sesamin with 8 FFK (molecular surface of (+)- sesamin with 8 FFK) 418

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 19: Molecular docking (+)- sesamin with 8 FFK (contact preference of (+)- sesamin with 8 FFK) Fig. 20: Molecular docking of (+)- sesamin with 8 FFK (interaction potential of (+)- sesamin with 8 FFK) Fig. 21: Molecular docking of (+)- sesamin with 8 FFK (electrostatic map of (+)- sesamin with 8 FFK) 419

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 22: Molecular docking of $ -sitosterol with 8 FFK (interaction between $ -sitosterol and active sites of 8 FFK protein) Fig. 23: Molecular docking of $ -sitosterol with 8 FFK (identified binding conformation of $ -sitosterol and the corresponding intermolecular interactions) Fig. 24: Molecular docking of $ -sitosterol with 8 FFK (molecular surface of $ -sitosterol with 8 FFKK) 420

Int. J. Pharmacol., 20 (3): 403-425, 2024 Fig. 25: Molecular docking of $ -sitosterol with 8 FFK (contact preference of $ -sitosterol with 8 FFK) Fig. 26: Molecular docking of $ -sitosterol with 8 FFK (interaction potential of $ -sitosterol with 2 OMK) Fig. 27: Molecular docking of $ -sitosterol with 8 FFK (electrostatic map of $ -sitosterol with 2 OMK) 421

[Find the meaning and references behind the names: Mura, Bakri, Ring, Phe, Low, Naggar, Development, Ser, Plays, Bond, Amin, Pro, Viral]

Int. J. Pharmacol., 20 (3): 403-425, 2024 Table 8: Interaction of (+)- sesamin and $ -sitosterol with structure of E. faecalis 2 OMK Mol Ligand Receptor Interaction Distance E (kcal/mol) (+)- Sesamin 6-ring CA SER 175 (A) pi-H 3.97 -0.6 $ -Sitosterol O 76 OE 1 GLU 171 (A) H-donor 3.15 -1.1 Table 9: Interaction of (+)- sesamin and $ -sitosterol with K. pneumoniae 8 FFK Mol Ligand Receptor Interaction Distance E (kcal/mol) (+)- Sesamin O 10 N PHE 136 (A) H-acceptor 2.94 -2.0 $ -Sitosterol O 76 OD 2 ASP 760 (A) H-donor 3.08 -1.4 The details of interactions that occur between screened compounds and target proteins intermolecularly, including hydrogen bond and hydrophobic interaction are displayed in Table 8 and 9 Some natural active constituents of sesame EO namely sesamolinol, sesamin, sesamolin and sesaminol were docked with 3 CL pro (protease enzyme) which plays a vital role in viral replication in COVID-19. These constituents possess higher binding energy ranging from -6.7 to -6.1 50 The antibacterial activity of sesamin and $ -sitosterol via interaction with the structure of E. faecalis 2 OMK and K. pneumoniae 8 FFK was verified by the detected negative score with the greatest value of the free binding energy in the current inquiry, which was noted in scientific investigations that were comparable but utilized other natural ingredients 3,6,51,52 . Numerous investigations supported the practical experiments findings about the effectiveness of some natural molecules via molecular docking interaction against E. coli and Proteus vulgaris 51 , S. typhi 7 , S. aureus and C. albicans 8 . The $ -Sitosterol as a natural constituent of Ocimum basilicum L. showed antibacterial activity against Enterococcus faecalis , Streptococcus mutans and Streptococcus sanguinis 53 . Docking result showed this constituent reflected low binding affinity of -7.8, -7.6, -6.7 and -6.0 kcal/mol for the potential targets PBP, MurB, MurA and SrtA, respectively 54 CONCLUSION Several constituents were detected in sesame and sweet almond EOs via GC/MS analysis. These EOs were effective against tested bacteria and C. albicans , but the sweet almond EO was more effective than sesame EO. Moreover, slight synergistic action of the combined two EOs was recorded against certain microorganisms including S. aureus , S. typhi and C. albicans while antagonistic action was observed against the rest tested microorganisms. The ability of sweet almond EO to DPPH scavenging activity was more than sesame EO. Because of the presence of several phenolic and flavonoids, the antimicrobial and antioxidant activities of oils were performed. Also, the human body was protected from their destructive effects as well as decelerating the development of numerous diseases such as microbial infection via the removal of free radicals and reactive oxygen species by antioxidants. The current study suggested that the screened chemicals [(+)- sesamin and $ -sitosterol] have enough potential to inhibit the proteins of K. pneumoniae (PDB: 8 FFK) and E. faecalis (PDB: 2 OMK) and may be used as efficient drug candidates for the development of new treatments. However, the tested EOs are very effective against tested microorganisms SIGNIFICANCE STATEMENT Several plant-based essential oils have been investigated for their potential as pharmaceutical agent. Therefore, search for natural compounds that are effective against pathogenic microorganisms and their mechanisms is essential Findings of the current investigation reveal that EOs of sesame and sweet almond were effective on some food-born and human pathogenic microorganisms, besides their antioxidant activity which play a vital role in the human balance during stress conditions. Molecular docking in this study will help the investigators to predict for the activity and mechanism of EOs against pathogenic bacteria, thus a critical theory on the management of food and microbial infection may be arrived at REFERENCES 1 Abdelghany, T.M., M.A. El-Naggar, M.A. Ganash and M.A. Al Abboud, 2017. PCR identification of Aspergillus niger with using natural additives for controlling and detection of malformins and maltoryzine production by HPLC BioNanoScience, 7: 588-596 2 Abdelghany, T.M., R. Yahya, M.M. Bakri, M. Ganash, B.H. Amin and H. Qanash, 2021. Effect of Thevetia peruviana seeds extract for microbial pathogens and cancer control Int. J. Pharmacol., 17: 643-655 422

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Int. J. Pharmacol., 20 (3): 403-425, 2024 3 Yahya, R., A.M.H. Al-Rajhi, S.Z. Alzaid, M.A. Al Abboud and M.S. Almuhayawi et al ., 2022. Molecular docking and efficacy of Aloe vera gel based on chitosan nanoparticles against Helicobacter pylori and its antioxidant and anti-inflammatory activities. Polymers, Vol. 14. 10.3390/polym 14152994 4 Alawlaqi, M.M., A.M.H. Al-Rajhi, T.M. Abdelghany, M. Ganash and H. Moawad, 2023. Evaluation of biomedical applications for linseed extract: Antimicrobial, antioxidant, anti-diabetic, and anti-inflammatory activities in vitro . J. Funct. Biomater., Vol. 14. 10.3390/jfb 14060300 5 Al-Rajhi, A.M.H., H. Qanash, M.N. Almashjary, M.S. Hazzazi, H.R. Felemban and T.M. Abdelghany, 2023. Anti- Helicobacter pylori , antioxidant, antidiabetic, and anti-Alzheimerʼs activities of laurel leaf extract treated by moist heat and molecular docking of its flavonoid constituent, naringenin, against acetylcholinesterase and butyrylcholinesterase Life, Vol. 13. 10.3390/life 13071512 6 Qanash, H., A. Bazaid, A. Aldarhami, B. Alharbi and M.N. Almashjary et al ., 2023. Phytochemical characterization and efficacy of Artemisia judaica extract loaded chitosan nanoparticles as inhibitors of cancer proliferation and microbial growth. Polymers, Vol. 15 10.3390/polym 15020391 7 Al-Rajhi, A.M.H. and T.M. Abdel Ghany, 2023. Nanoemulsions of some edible oils and their antimicrobial, antioxidant, and anti-hemolytic activities. BioResources, 18: 1465-1481 8 Qanash, H., K. Alotaibi, A. Aldarhami, A.S. Bazaid, M. Ganash, N.H. Saeedi and T.M. Abdel Ghany, 2023. Effectiveness of oil-based nanoemulsions with molecular docking of its antimicrobial potential. BioResources, 18: 1554-1576 9 Lang, G. and G. Buchbauer, 2012. A review on recent research results (2008-2010) on essential oils as antimicrobials and antifungals. A review. Flavour Fragrance J., 27: 13-39 10. Okoh, S.O., B.C. Iweriebor, O.O. Okoh and A.I. Okoh, 2017 Bioactive constituents, radical scavenging, and antibacterial properties of the leaves and stem essential oils from Peperomia pellucid (L.) Kunth. Pharmacogn. Magaz., 13: S 392-S 400 11. Isman, M.B., 2000. Plant essential oils for pest and disease management. Crop Protect., 19: 603-608 12. Namiki, M., 2007. Nutraceutical functions of sesame: A review Crit. Rev. Food Sci. Nutr., 47: 651-673 13. Kanu, P.J., J.Z. Bahsoon, J.B. Kanu and J.B.A. Kandeh, 2010 Nutraceutical importance of sesame seed and oil: A review of the contribution of their lignans. Sierra Leone J. Biomed. Res., 2: 4-16 14. Kumar, C.M. and S.A. Singh, 2015. Bioactive lignans from sesame ( Sesamum indicum L.): Evaluation of their antioxidant and antibacterial effects for food applications J. Food Sci. Technol., 52: 2934-2941 15. Sallam, K.I., S.M. Abd-Elghany, K. Imre, A. Morar, V. Herman, M.A. Hussein and M.A. Mahros, 2021. Ensuring safety and improving keeping quality of meatballs by addition of sesame oil and sesamol as natural antimicrobial and antioxidant agents. Food Microbiol., Vol. 99 10.1016/j.fm.2021.103834 16. de los Cobos, F.P., P.J. Martínez-García, A. Romero, X. Miarnau and I. Eduardo et al ., 2021. Pedigree analysis of 220 almond genotypes reveals two world mainstream breeding lines based on only three different cultivars. Hortic. Res., Vol. 8 10.1038/s 41438-020-00444-4 17. Moore, E.M., C. Wagner and S. Komarnytsky, 2020 The enigma of bioactivity and toxicity of botanical oils for skin care. Front. Pharmacol., Vol. 11 10.3389/fphar.2020.00785 18. Oliveira, I., A.S. Meyer, S. Afonso, A. Aires, P. Goufo, H. Trindade and B. Gonçalves, 2019. Phenolic and fatty acid profiles, " -tocopherol and sucrose contents, and antioxidant capacities of understudied Portuguese almond cultivars J. Food Biochem., Vol. 43. 10.1111/jfbc.12887 19. Kahlaoui, M., S.B.D. Vecchia, F. Giovine, H.B.H. Kbaier, N. Bouzouita, L.B. Pereira and G. Zeppa, 2019 Characterization of polyphenolic compounds extracted from different varieties of almond hulls ( Prunus dulcis L.) Antioxidants, Vol. 8. 10.3390/antiox 8120647 20. Gümü Õ , E., 2023. Effect of dietary sweet almond oil on performance, carcass parameters, blood values and meat quality of Japanese quails. Etlik Veteriner Mikrobiyoloji Dergisi, 34: 67-72 21. Mericli, F., E. Becer, H. Kabaday 2 , A. Hanoglu and D.Y. Hanoglu et al ., 2017. Fatty acid composition and anticancer activity in colon carcinoma cell lines of Prunus dulcis seed oil. Pharm. Biol., 55: 1239-1248 22. Rizwana, H., 2018. In vitro antibacterial and antifungal activity of some oils, chemical analysis and their FTIR studies Int. J. Agric. Biol., 20: 1488-1496 23. Müller, A.K., L. Schmölz, M. Wallert, M. Schubert, W Schlörmann, M. Glei and S. Lorkowski, 2019. In vitro digested nut oils attenuate the lipopolysaccharide-induced inflammatory response in macrophages. Nutrients, Vol. 11 10.3390/nu 11030503 24. Yu, W. and A.D. MacKerell, 2017. Computer-Aided Drug Design Methods. In: Antibiotics: Methods and Protocols, Sass, P. (Ed.), Humana Press, New York, ISBN: 978-1-4939-6634-9, pp: 85-106 25. Al-Rajhi, A.M.H., H. Qanash, A.S. Bazaid, N.K. Binsaleh and T.M. Abdelghany, 2023. Pharmacological evaluation of Acacia nilotica flower extract against Helicobacter pylori and human hepatocellular carcinoma in vitro and in silico J. Funct. Biomater., Vol. 14. 10.3390/jfb 14040237 423

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Int. J. Pharmacol., 20 (3): 403-425, 2024 26. Abdel Ghany, T.M., 2013. Stachybotrys chartarum : A novel biological agent for the extracellular synthesis of silver nanoparticles and their antimicrobial activity Indones. J. Biotechnol., 18: 75-82 27. French, G.L., 2006. Bactericidal agents in the treatment of MRSA infections-the potential role of daptomycin J. Antimicrob. Chemother., 58: 1107-1117 28. Weijian, S., W. Hong, L. Huiyuan, Y. Keyao, H. Guoshen, W, Xueyuan and W. Bin, 2020. Determination of eight vitamin E in vegetable oils by gas chromatography-mass spectrometry and its application on authentication of sesame oil. Chin. J. Chromatogr., 38: 595-599 29. Rangkadilok, N., N. Pholphana, C. Mahidol, W. Wongyai, K. Saengsooksree, S. Nookabkaew and J. Satayavivad, 2010 Variation of sesamin, sesamolin and tocopherols in sesame ( Sesamum indicum L.) seeds and oil products in Thailand Food Chem., 122: 724-730 30. Yu, Q., X.D. Wang, H.M. Liu and Y.X. Ma, 2022. Preparation and characterization of solid acid catalysts for the conversion of sesamin into asarinin in sesame oil. Foods, Vol. 11 10.3390/foods 11091225 31. Wan, Y., Q. Zhou, M. Zhao and T. Hou, 2023. Byproducts of sesame oil extraction: Composition, function, and comprehensive utilization. Foods, Vol. 12 10.3390/foods 12122383 32. Zhao, W., L. Wang, F. Yang, N. Zhang and J. Fan et al ., 2022 Antioxidant activity assessment of Yingjisha sweet almond oil. Int. J. Food Sci. Technol., 57: 1773-1781 33. Sallam, W., F. El-Santeel, H. El-Sharkawy and M. Saad, 2021 Botanical oils of fenugreek, pumpkin and sweet almond: Gas Chromatography-Mass Spectrometry (GC-Ms) analysis, its effects on mulberry silkworm, Bombyx mori L J. Prod. Dev., 26: 719-736 34. Banjanin, T., D. Nikolic, N. Uslu, F. Gökmen and M.M. Özcan et al ., 2021. Physicochemical properties, fatty acids, phenolic compounds, and mineral contents of 12 Serbia regional and commercial almond cultivars. J. Food Process. Preserv., Vol. 45 10.1111/jfpp.15015 35. Matthäus, B. and M.M. Özcan, 2020. Quantification of sterol contents in almond ( Prunus amygdalus L.) oils. Iran. J. Chem Chem. Eng., 39: 203-206 36. Tir, R., P.C. Dutta and A.Y. Badjah-Hadj-Ahmed, 2012 Effect of the extraction solvent polarity on the sesame seeds oil composition. Eur. J. Lipid Sci. Technol., 114: 1427-1438 37. Czaplicki, S., D. Ogrodowska, D. Derewiaka, M. Ta ½ ska and R. Zadernowski, 2011. Bioactive compounds in unsaponifiable fraction of oils from unconventional sources. Eur. J. Lipid Sci Technol., 113: 1456-1464 38. Chen, Z., J. Fu, X. Dou, Z. Deng and X. Wang et al ., 2023 Comprehensive adulteration detection of sesame oil based on characteristic markers. Food Chem.: X, Vol. 18 10.1016/j.fochx.2023.100745 39. Xue, L., R. Yang, X. Wang, F. Ma, L. Yu, L. Zhang and P. Li, 2023 Comparative advantages of chemical compositions of specific edible vegetable oils. Oil Crop Sci., 8: 1-6 40. Fallah, A.A., E. Sarmast, T. Jafari and A.M. Khaneghah, 2023 Vegetable oil-based nanoemulsions for the preservation of muscle foods: A systematic review and meta-analysis Crit. Rev. Food Sci. Nutr., 63: 8554-8567 41. Zaki, N.H., R.M.S. AL-Oqaili and H. Tahreer, 2015. Antibacterial effect of ginger and black pepper extracts (alone and in combination) with sesame oil on some pathogenic bacteria World J. Pharm. Pharm. Sci., 4: 774-784 42. Mohamed, S.H., M.S.M. Mohamed, M.S. Khalil, M. Azmy and M.I. Mabrouk, 2018. Combination of essential oil and ciprofloxacin to inhibit/eradicate biofilms in multidrugresistant Klebsiella pneumoniae . J. Appl. Microbiol., 125: 84-95 43. Alenazy, R., 2022. Antibiotic resistance in Salmonella : Targeting multidrug resistance by understanding efflux pumps, regulators and the inhibitors. J. King Saud Univ. Sci., Vol. 34. 10.1016/j.jksus.2022.102275 44. Uniyal, V., R.P. Bhatt, S. Saxena and A. Talwar, 2012. Antifungal activity of essential oils and their volatile constituents against respiratory tract pathogens causing Aspergilloma and Aspergillosis by gaseous contact. J. Appl. Nat. Sci., 4: 65-70 45. Alayoubi, M., A. Çakici and F. Rimawi, 2020. Use of different essential oils in concentrated yogurt as natural preservative Int. J. Food Eng. Res., 6: 65-94 46. Pavaloiu, R.D., F. Shaat, C. Hlevca, G. Neagu, A. Staras and L. Pirvu, 2022. Preparation and characterization of antibacterial creams containing plant extracts for topical application. Sci. Bull. Ser. F. Biotechnologies, 26: 146-151 47. Lange, K., Y. Nakamura, H. Zhao, D. Bai and H. Wang, 2021 Are omega-3 fatty acids efficacious in the treatment of depression? A review. J. Food Bioactives, 14: 10-19 48. Tit, D.M. and S.G. Bungau, 2023. Antioxidant activity of essential oils. Antioxidants, Vol. 12. 10.3390/antiox 12020383 49. Gharehcheshmeh, M.H., A. Arianfar, E. Mahdian and S. Naji-Tabasi, 2021. Production and evaluation of sweet almond and sesame oil nanoemulsion and their effects on physico-chemical, rheological and microbial characteristics of enriched yogurt. J. Food Meas. Charact., 15: 1270-1280 50. Kumar, A., D.C. Mishra, U.B. Angadi, R. Yadav, A. Rai and D. Kumar, 2021. Inhibition potencies of phytochemicals derived from sesame against SARS-CoV-2 main protease: A molecular docking and simulation study. Front. Chem., Vol. 9. 10.3389/fchem.2021.744376 424

[Find the meaning and references behind the names: Evangelina, Kurnia, Apple, Adv, Bio, Oral, Rep, Kei, Anisah]

Int. J. Pharmacol., 20 (3): 403-425, 2024 51. Al-Rajhi, A.M.H., R. Yahya, T.M. Abdelghany, M.A. Fareid, A.M. Mohamed, B.H. Amin and A.S. Masrahi, 2022 Anticancer, anticoagulant, antioxidant and antimicrobial activities of Thevetia peruviana latex with molecular docking of antimicrobial and anticancer activities. Molecules, Vol. 27 10.3390/molecules 27103165 52. Qanash, H., R. Yahya, M.M. Bakri, A.S. Bazaid, S. Qanash, A.F. Shater and T.M. Abdelghany, 2022. Anticancer, antioxidant, antiviral and antimicrobial activities of Kei Apple ( Dovyalis caffra ) fruit. Sci. Rep., Vol. 12 10.1038/s 41598-022-09993-1 53. Evangelina, I.A., Y. Herdiyati, A. Laviana, R. Rikmasari, C. Zubaedah, Anisah and D. Kurnia, 2021. Bio-mechanism inhibitory prediction of $ -sitosterol from Kemangi ( Ocimum basilicum L.) as an inhibitor of MurA enzyme of oral bacteria: In vitro and in silico study. Adv. Appl. Bioinf Chem., 14: 103-115 54. Al-Rajhi, A.M.H., H. Qanash, M.S. Almuhayawi, S.K. Al Jaouni and M.M. Bakri et al ., 2022. Molecular interaction studies and phytochemical characterization of Mentha pulegium L constituents with multiple biological utilities as antioxidant, antimicrobial, anticancer and anti-hemolytic agents. Molecules, Vol. 27. 10.3390/molecules 27154824 425

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