In silico studies of dengue, Marburg proteins, and Murraya koenigii.
Journal name: World Journal of Pharmaceutical Research
Original article title: In silico studies on dengue and marburg viral proteins with selected murraya koenigii leaves constituents
The WJPR includes peer-reviewed publications such as scientific research papers, reports, review articles, company news, thesis reports and case studies in areas of Biology, Pharmaceutical industries and Chemical technology while incorporating ancient fields of knowledge such combining Ayurveda with scientific data.
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Rameen Taj S., Sheetal V. Rao, Tulasi D. P., Nisha R., Pavithra K. and Balasubramanian Sathyamurthy
World Journal of Pharmaceutical Research:
(An ISO 9001:2015 Certified International Journal)
Full text available for: In silico studies on dengue and marburg viral proteins with selected murraya koenigii leaves constituents
Source type: An International Peer Reviewed Journal for Pharmaceutical and Medical and Scientific Research
Doi: 10.20959/wjpr201819-13825
Copyright (license): WJPR: All rights reserved
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Summary of article contents:
Introduction
The study conducted by Sathyamurthy et al. investigates the potential effects of phytochemicals found in the leaves of Murraya koenigii (commonly known as curry leaf) against the dengue and Marburg viruses. These viruses, responsible for significant health issues globally, are characterized by their protein structures which offer targets for drug design. The research employs in silico methods, particularly molecular docking, to evaluate how effectively five selected compounds from Murraya koenigii bind to the viral proteins associated with these diseases.
Binding Affinity of Compounds
One of the critical findings of this study is the comparative analysis of the binding affinities of five compounds extracted from Murraya koenigii leaves with the viral proteins of dengue and Marburg viruses. Among the tested compounds, 2-Phenyl-4 Quinolinecarboxamide exhibited the highest binding affinity across multiple proteins of both viruses, particularly strengthening the argument for its potential as a therapeutic agent. The study quantitatively measured binding energies, revealing that lower energy scores correspond to better binding interactions, essential for identifying candidates for further drug development.
Role of Molecular Docking
Molecular docking emerged as a significant technique within the study, allowing researchers to simulate and analyze the interactions between the compounds and the viral proteins. The biochemical interaction was detailed through total binding energy profiles and hydrogen bonding assessments. These analyses provided insight into the structural affinities and binding modes of engaged compounds, underscoring the utility of docking studies in drug development. By understanding these interactions at the molecular level, the study paves the way for more targeted therapeutic approaches against viral infections.
Importance of Phytochemicals from Murraya koenigii
The study accentuates the medicinal implications of Murraya koenigii beyond its culinary use, highlighting its diverse bioactive compounds that possess antimicrobial, anti-fungal, and anti-inflammatory properties. These phytochemicals have been recognized in traditional medicine for their therapeutic efficacy, and this research lends scientific credibility to traditional practices. The potential of utilizing such natural products in combating viral diseases showcases the importance of ethnobotanical research in modern pharmacology.
Conclusion
In conclusion, the study provides promising insights into the use of compounds derived from Murraya koenigii as potential antiviral agents against dengue and Marburg viruses. With 2-Phenyl-4 Quinolinecarboxamide standing out in binding affinity, the research emphasizes the need for rigorous validation through in vivo and in vitro experiments to confirm these findings. The integration of natural compounds into therapeutic development presents an exciting frontier in medicine, offering hope for new effective treatments for debilitating viral infections. Further exploration of these compounds could lead to innovative strategies in the fight against such global health threats.
FAQ section (important questions/answers):
What is the focus of the study conducted by Sathyamurthy et al.?
The study investigates the binding efficiency of five compounds from Murraya koenigii leaves with proteins from Dengue and Marburg viruses using molecular docking methods.
Which compound showed the highest binding affinity in the study?
The compound 2-Phenyl-4 Quinolinecarboxamide exhibited the highest binding affinity with proteins from both Dengue and Marburg viruses in the docking analysis.
What are the main proteins studied from Dengue and Marburg viruses?
The study focused on key proteins including the Envelope and Capsid proteins for Dengue virus, and Glycoprotein, Nucleoprotein, and VP40 Matrix protein for Marburg virus.
How was the binding energy of ligands determined?
Binding energy was calculated using iGEMDOCK software during the molecular docking studies, with lower energy scores indicating better binding affinity.
What are the potential applications of the findings?
The findings could lead to the development of effective drug targets against Dengue and Marburg viruses, although further validation through in vivo and in vitro studies is needed.
Why are Murraya koenigii leaf compounds relevant to this research?
Compounds from Murraya koenigii have known medicinal properties and are explored for their potential therapeutic effects against viral infections like Dengue and Marburg.
Glossary definitions and references:
Scientific and Ayurvedic Glossary list for “In silico studies of dengue, Marburg proteins, and Murraya koenigii.”. This list explains important keywords that occur in this article and links it to the glossary for a better understanding of that concept in the context of Ayurveda and other topics.
1) Viru:
The term 'Viru' references viruses, particularly pathogenic viruses like dengue and Marburg, which are the focus of the study. Understanding these viruses is crucial as they pose significant health risks and challenge existing treatments, emphasizing the importance of research in viral infections and their implications for public health.
2) Table:
In the context of the document, 'Table' refers to the structured format used to present data, such as binding energy profiles and hydrogen bond interactions. Tables organize complex information for easier comparison and analysis, facilitating an understanding of the results and correlations found in the molecular docking study.
3) Study (Studying):
'Study' signifies the research conducted to explore the binding efficiency of compounds from Murraya koenigii with viral proteins. It encompasses the methods, results, and analyses adopted to uncover potential therapeutic agents. This focus on in silico methods highlights a modern approach to drug discovery and the importance of scientific inquiry.
4) Drug:
'Drug' pertains to substances used for medical treatment, in this case, targeting dengue and Marburg viruses. The study investigates bioactive compounds for their therapeutic potential, aiming to discover new drugs. This reflects the broader goal of pharmaceutical research: to develop effective treatments for viral infections.
5) Pose:
'Pose' refers to the specific orientation and configuration of ligand molecules when interacting with target proteins during docking studies. Evaluating various poses helps determine the most favorable binding interactions. This term is vital in structural biology and computational drug design, affecting the binding affinity and efficacy of potential therapeutic agents.
6) Activity:
'Activity' denotes the biological effects and interactions of compounds with viral proteins, indicating their potential as anti-viral agents. In pharmacology, assessing the activity of naturally occurring substances is crucial for identifying new medications. This term encompasses both efficacy and mechanism of action in therapeutic contexts.
7) Commerce:
'Commerce' alludes to the economic aspects associated with the development, production, and distribution of pharmaceutical products. It highlights the intersection of science and business, suggesting that discoveries in drug development have significant financial implications for industries involved in health and medicine, including the potential market for new treatments.
8) Disease:
'Disease' signifies the health conditions caused by pathogens like viruses, with the focus on dengue and Marburg. Understanding the nature and mechanisms of these diseases is essential for developing effective prevention and treatment strategies. The relationship between disease prevalence and effective pharmacological responses underscores the necessity of ongoing research.
9) Science (Scientific):
'Science' represents the systematic study of the natural world through observation and experimentation. In this text, it underscores the reliance on scientific methods in researching viral proteins and medicinal compounds. Science encapsulates the broader quest for knowledge that drives progress in medicine and health care.
10) Antibiotic (Antibacterial):
'Antibacterial' describes substances that inhibit or kill bacteria. Though the study focuses on viral proteins, understanding antibacterial properties of components from Murraya koenigii demonstrates the complexity of natural compounds, which may offer diverse health benefits. This aspect highlights the multi-faceted potential of phytochemicals in medicine.
11) Indian:
'Indian' refers to the geographical and cultural context of Murraya koenigii, a traditional medicinal plant used extensively in Indian cuisine and Ayurveda. This highlights the significance of regional biodiversity and traditional knowledge in modern pharmacological research, linking cultural heritage with scientific inquiry and drug development.
12) Fever:
'Fever' is a common symptom associated with viral infections like dengue. Understanding its role in disease pathology is crucial for evaluating the impacts of potential treatments. This term underscores the clinical significance of symptoms, guiding researchers in targeting therapeutic interventions that can alleviate such manifestations.
13) Pharmacological:
'Pharmacological' relates to the study of drug action and interactions within biological systems. This term emphasizes the importance of investigating the mechanisms by which compounds from Murraya koenigii can influence viral proteins, thereby linking traditional knowledge of medicinal plants with modern pharmacological principles and drug development.
14) Phytochemical:
'Phytochemical' refers to bioactive compounds derived from plants, which have potential health benefits. This study explores phytochemicals from Murraya koenigii for their possible therapeutic applications against viral infections. Understanding phytochemicals broadens the scope of natural product research, showcasing their importance in modern medicine.
15) Discussion:
'Discussion' indicates the section of the study where results are interpreted and implications are explored. This critical part of research synthesizes findings, contextualizing them within existing knowledge and proposing avenues for future inquiry, ultimately contributing to the broader scientific dialogue surrounding drug discovery.
16) Evolution:
'Evolution' in this context may reflect the development of viral pathogens and their adaptations over time. Understanding viral evolution is important for anticipating changes in virulence and treatment response, guiding the development of effective therapies amidst the dynamic nature of viral diseases.
17) Toxicity:
'Toxicity' pertains to the harmful effects of substances on living organisms. Assessing toxicity is fundamental in drug development to ensure safety and efficacy. In the study, evaluating the toxicity of phytochemicals from Murraya koenigii will inform their potential therapeutic uses and any safety concerns.
18) Medicine:
'Medicine' relates to the science of diagnosing, treating, and preventing diseases. This term embodies the overarching goal of the research: to explore natural compounds with medicinal properties that can lead to innovative treatments for viral infections, bridging traditional and modern healthcare practices.
19) Sheetal:
'Sheetal' refers to one of the authors involved in the study. The inclusion of author names emphasizes collaboration in scientific research, reflecting the collective effort of different individuals in advancing knowledge about potential therapeutic agents derived from traditional plants.
20) Tulasi:
'Tulasi' refers to another author contributing to the research. Individual recognition underscores the importance of teamwork and diversity in scientific endeavors. Each author's unique perspective enriches the research outcomes, demonstrating how collaborative efforts can lead to meaningful scientific discoveries.
21) Family:
'Family' in this text contextually relates to the classification of plant species, specifically Murraya koenigii belonging to the Rutaceae family. Understanding botanical classifications is vital in ethnobotany and pharmacognosy, aiding in the identification of plants with medicinal properties used in traditional practices.
22) Animal:
'Animal' relates to the potential use of animal models for further validating the findings of the study. Testing drugs on animal models is a crucial step in the development process, providing insights into safety and efficacy before human clinical trials can be conducted.
23) Miti:
'Meethi' signifies the common name of Murraya koenigii, linked to its use and cultural relevance. Naming conventions reflect local traditions and practical applications of plants in day-to-day life, fostering respect for indigenous knowledge in the formulation of modern scientific inquiry.
24) Lanka (Lamka, Lànkà):
'Lanka' refers to Sri Lanka, emphasizing the regional context of the dengue virus strains studied in the research. This geographical reference highlights the global nature of viral infections and the need for region-specific studies to develop effective treatments against diseases in various locales.
25) India:
'India' denotes the country where Murraya koenigii is prevalent. As a significant center for traditional medicine, the country offers rich biodiversity that can be clinically evaluated. Understanding local plants and their uses is essential for integrating traditional knowledge with modern therapeutic practices.
26) Aroma (A-roma):
'Aroma' pertains to the distinct scent of Murraya koenigii leaves used in cooking. The sensory properties of herbs and spices often enhance their culinary and medicinal appeal, pointing to the need for exploring their phytochemical compositions for potential health benefits.
27) Blood:
'Blood' highlights the physiological effect of diseases like dengue, which can cause hemorrhagic manifestations. Understanding the impact of the dengue virus on blood is crucial for developing effective interventions and treatments, emphasizing the importance of molecular studies in addressing complex health issues.
28) Nish (Nisa, Nis, Nishe, Nisha):
'Nisha' refers to a co-author involved in the research process. Recognizing contributions made by individuals underscores the collaborative nature of scientific research, revealing how diverse inputs enhance the rigor and breadth of conclusions drawn from studies on therapeutic agents.
29) Neem:
'Neem' relates to Murraya koenigii's common name 'meethi neem' and suggests a connection to traditional herbal remedies. Discussing plants with such historical significance reflects how cultural elements can inform scientific investigations, pushing forward avenues for further pharmacological exploration.
30) Food:
'Food' pertains to the uses of Murraya koenigii leaves as a culinary ingredient in Indian cuisine. This highlights the connection between nutrition, health, and traditional knowledge, indicating how dietary practices can influence health and well-being through the consumption of phytochemicals.
31) Tree:
'Tree' describes Murraya koenigii's botanical growth form. Understanding the classification and characteristics of medicinal plants aids in identifying suitable sources for research and cultivation, supporting sustainable practices and conserving biodiversity while promoting potential medicinal uses.
32) Hair:
'Hair' refers to traditional claims regarding Murraya koenigii’s ability to alleviate aging effects such as premature graying. Exploring these cultural beliefs can lead to scientific inquiries into the phytochemicals that may support hair health, bridging folk remedies with modern scientific validation.
33) Rich (Rch):
'Rich' in this context describes the abundant resources provided by nature, particularly regarding the bioactive compounds found in Murraya koenigii. This highlights the potential of exploring biodiverse ecological systems for drug discovery and the importance of conserving natural habitats.
34) Pain:
'Pain' refers to a symptom for which Murraya koenigii is traditionally used as a remedy. Investigating its analgesic properties could lend scientific support to folklore practices, validating and potentially expanding the medicinal applications of the plant in contemporary healthcare.
35) Post:
'Post' typically means after or subsequent. In the research context, it may reference the steps taken after docking studies, like post-docking analysis of results. This step is essential for interpreting data effectively, determining the implications of binding interactions, and guiding future experiments.
36) Life:
'Life' signifies the broader biological context, particularly how compounds from Murraya koenigii may influence living organisms, including cellular processes and responses to viral infections. This underscores the complexity of interactions between phytochemicals and biological systems within therapeutic development.
Other Science Concepts:
Discover the significance of concepts within the article: ‘In silico studies of dengue, Marburg proteins, and Murraya koenigii.’. Further sources in the context of Science might help you critically compare this page with similair documents:
Medicinal plant, Antifungal activity, Molecular docking, Dengue Virus Protein, Hydrogen bonding, Bioactive compound, Binding Affinities, GC-MS analysis, Antioxidative properties, In silico studies, Protein data bank.