Anticancer potential of Grevillea robusta phytochemicals against breast cancer
in silico molecular docking approach
Journal name: World Journal of Pharmaceutical Research
Original article title: Anticancer potential of isolated phytochemicals from grevillea robusta against breast cancer
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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Subtitle: in silico molecular docking approach
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Syed Mohammed Tareq, Mohammad Nazmul Islam, Sarrin Shahadat, Bishwajit Guha, Md. Abul Kalam Azad, Md. Ikram, Mohammad Jahir Royhan, Arkajyoti Paul and Mohammad Shah Hafez Kabir,
World Journal of Pharmaceutical Research:
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Full text available for: Anticancer potential of isolated phytochemicals from grevillea robusta against breast cancer
Source type: An International Peer Reviewed Journal for Pharmaceutical and Medical and Scientific Research
Doi: 10.20959/wjpr201612-7541
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Summary of article contents:
Introduction
Breast cancer represents a significant public health issue, notably among women, with approximately 1.67 million diagnosed cases each year globally. Factors contributing to the rising incidence of this disease include lifestyle changes such as delayed pregnancies, reduced breastfeeding duration, and increased obesity rates. A key player in breast cancer proliferation is the estrogen receptor alpha (ER-α), whose overexpression has been observed in numerous cases. The current study aims to explore bioactive compounds from the plant Grevillea robusta that could effectively inhibit ER-α and serve as potential therapeutic agents against breast cancer.
Significance of Molecular Docking
Molecular docking is a pivotal technique used in computer-aided drug discovery that allows researchers to predict how small molecules, such as potential drugs, interact with target proteins like ER-α. This in silico method utilizes algorithms to assess binding affinity and modes between ligands and receptor sites, facilitating the identification of promising drug candidates. The study employed this approach to evaluate various compounds isolated from Grevillea robusta, assessing their ability to serve as inhibitors for the estrogen receptor. The findings indicated that Grasshopper Ketone exhibited the strongest binding affinity among the compounds analyzed, suggesting its potential as a selective inhibitor.
Bioactive Compounds from Grevillea robusta
In the investigation, several bioactive compounds were identified from Grevillea robusta, including 4-hydroxyacetophenone, Bisnorstriatol, Grasshopper Ketone, and P-coumaric acid. These compounds were subjected to molecular docking analysis to evaluate their effectiveness in inhibiting the activity of ER-α. Each compound displayed varying levels of docking scores, denoting their potential interaction with the estrogen receptor. Notably, Grasshopper Ketone achieved the highest docking score (-7.368), indicating its remarkable potential as an inhibitor. This underscores the value of utilizing natural compounds in the search for effective cancer treatments.
Impact of Computational Approaches in Drug Design
The advent of computational techniques in drug design has revolutionized the identification of effective compounds for disease treatment, particularly in the realm of cancer. Virtual screening, through molecular docking, allows the rapid analysis of large datasets to identify potential therapeutic agents without requiring extensive experimental procedures at the initial stage. By predicting binding interactions and affinities, researchers can prioritize compounds for further testing, ultimately saving time and resources. This study highlights the indispensable role of computational biology in modern pharmacology, showcasing how in silico methods can expedite the drug discovery process.
Conclusion
The findings of this study indicate that bioactive compounds derived from Grevillea robusta, particularly Grasshopper Ketone, hold promise as potential selective inhibitors of ER-α in breast cancer treatment. While the molecular docking results suggest a strong binding affinity, further in vitro and in vivo studies are necessary to confirm the estrogen receptor inhibitory activity of these compounds. The integration of computational techniques into drug discovery represents a significant advancement, underscoring the potential of natural products in developing effective cancer therapies. The research illustrates a proactive approach to addressing breast cancer through the exploration of plant-derived bioactive substances.
FAQ section (important questions/answers):
What is the main focus of the study?
The study aims to investigate the anticancer potential of bioactive compounds from Grevillea robusta, specifically their ability to inhibit estrogen receptor alpha, which is linked to breast cancer.
Which compounds were screened for estrogen receptor alpha inhibition?
The compounds screened include 4-hydroxyacetophenone, Bisnorstriatol, Grasshopper ketone, and P-coumaric acid, all of which were evaluated for their docking scores against the estrogen receptor alpha.
What methods were used in this research?
The research employed in silico molecular docking methods using Schrodinger software to predict the binding affinities of the compounds to the estrogen receptor alpha.
What was the best docking score achieved among the compounds?
Grasshopper Ketone showed the highest docking score of -7.368, indicating its potential as a selective inhibitor of estrogen receptor alpha.
What are the next steps recommended after this study?
Further in vitro and in vivo investigations are necessary to confirm the estrogen receptor alpha inhibitory activity of the isolated compounds from Grevillea robusta.
What are the implications of the research findings?
The findings suggest that the isolated compounds from Grevillea robusta could lead to potential drug development for breast cancer treatment by targeting estrogen receptor alpha.
Glossary definitions and references:
Scientific and Ayurvedic Glossary list for “Anticancer potential of Grevillea robusta phytochemicals against breast cancer”. 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) Cancer:
Cancer refers to a group of diseases characterized by uncontrolled cell growth. In the context of this study, breast cancer is analyzed as it is linked to the overexpression of estrogen receptor alpha, highlighting the potential for developing targeted therapies based on phyto-compounds from Grevillea robusta.
2) Drug:
A drug is a substance used to diagnose, treat, or prevent diseases. This study investigates potential drug candidates derived from phytochemicals for inhibiting estrogen receptor alpha, thereby exploring new therapeutic avenues for breast cancer treatment, integrating traditional medicine and modern drug design methodologies.
3) Chittagong:
Chittagong is a major coastal city in Bangladesh and serves as a significant center for pharmaceutical research in this study. The authors from Chittagong institutions examine the bioactive compounds of Grevillea robusta, contributing to local and global knowledge in medicinal chemistry relevant to cancer treatment.
4) Medicine:
Medicine encompasses the science and practice of diagnosing, treating, and preventing illness. The study emphasizes the shift towards herbal medicine, investigating plant-derived compounds as potential cancer therapies, thereby integrating traditional medicinal practices with contemporary pharmaceutical research to develop effective treatments.
5) Table:
In the context of this study, a table is used to present molecular docking results, summarizing the binding affinities of various phytochemicals to the estrogen receptor. Tables facilitate a clear comparison of data, enhancing the understanding of compound efficacy in potential therapeutic applications.
6) Study (Studying):
Studying involves detailed examination and analysis. In this research, studying the interactions between phytochemicals and the estrogen receptor is crucial for evaluating their potential as selective inhibitors, informing future drug design and therapeutic developments in breast cancer treatment.
7) Pose:
In molecular docking, the term pose refers to the conformation of a ligand when it binds to a target protein. The pose is crucial for understanding the binding mechanism and affinity, guiding the design of effective drug candidates for inhibiting the estrogen receptor in breast cancer.
8) Castor:
Castor refers to the plant Ricinus communis, from which castor oil is derived. The study mentions castor oil's historical medicinal use, contextualizing the broader landscape of plant-based treatments in cancer therapy, and exemplifying how traditional knowledge intersects with modern pharmacological research.
9) Field:
Field denotes a specific area of study or professional practice. This study spans the fields of pharmacy, oncology, and computational biology, demonstrating the interdisciplinary approach needed for researching and developing new anticancer drugs from natural sources through molecular docking techniques.
10) Activity:
Activity in this study refers to the biological effectiveness of the isolated compounds concerning their ability to inhibit estrogen receptor alpha. Understanding activity is essential for assessing the therapeutic potential of these phytochemicals in preventing or treating breast cancer.
11) Family:
In botanical classification, family refers to a higher taxonomic rank within which related plants are grouped. Grevillea robusta belongs to the Proteaceae family, highlighting its biological and chemical properties and signifying the importance of plant family in pharmacognosy and herbal medicine.
12) India:
India is mentioned as a geographic location for the distribution of Grevillea robusta, emphasizing the relevance of local flora in global medicinal practices. The presence of this tree species and its therapeutic potential in traditional medicine showcases the interplay between biodiversity and pharmacology.
13) Silk:
Silk relates to the silk oak (Grevillea robusta), indicating its common name and structural properties, which contribute to its use in various applications, including ornamental and agricultural purposes. This aspect provides context for the study's broader implications on utility and value.
14) Tree:
Tree signifies the plant structure that Grevillea robusta forms. As a tree species, it has ecological significance and potential economic uses, engaging in discussions about biomass, natural products, and the role of trees in pharmaceutical developments through bioprospecting.
15) Wind:
Wind refers to the plant's use as a windbreak, which highlights the tree's environmental utility beyond its medicinal properties. This aspect underscores the multi-functional uses of plant species in their ecosystems and the broader implications for sustainable agricultural practices.
16) Milk:
Milk refers to the biological context regarding breast cancer, particularly in how breast cancer originates in the mammary gland structures involved in milk production. It emphasizes the necessity for targeted therapies that can address issues caused by hormonal influences like estrogen.
17) Ricinus communis:
Ricinus communis is the scientific name for the castor bean plant. Its oil contains beneficial compounds, and its historical medicinal uses are cited as examples of plant-derived treatments in the study, linking traditional practices to potential modern pharmacological applications.
18) Phytochemical:
Phytochemicals are bioactive compounds derived from plants that exhibit health benefits. This study emphasizes their importance as potential inhibitors of estrogen receptor alpha, representing a natural approach to drug development in cancer treatment, encouraging further exploration of plant-based therapies.
19) Discussion:
The discussion section of the study analyzes findings in the context of existing research and highlights the implications of the results. It evaluates the potential role of phytochemicals in cancer therapy, offering insights for future research directions and interdisciplinary collaboration.
20) Flavonoid:
Flavonoids are a class of phytochemicals known for their antioxidant properties. This study may investigate the flavonoid content in Grevillea robusta, considering their potential therapeutic applications and reinforcing the importance of plant metabolites in developing anticancer drug formulations.
21) Species:
Species indicates a group of organisms sharing common characteristics. In the study, Grevillea robusta is the focal species, highlighting its unique properties and potential for contributing to drug discovery aimed at addressing breast cancer through natural product research.
22) Account:
Account refers to a record or statement. In the study, the authors provide an account of their research methodology, results, and conclusions about the efficacy of particular phytochemicals, thereby assessing their potential for further development as breast cancer therapies.
23) Surface:
Surface relates to the area exposed to external contact. In drug design, understanding how molecules interact at the surface of a receptor protein is critical for predicting binding interactions during studies that aim to develop effective cancer treatments using molecular docking techniques.
24) Silver:
Silver in this context refers to the term 'silver oak' as part of the common nomenclature for Grevillea robusta. It highlights the plant's ornamental qualities, emphasizing the diverse uses of plant species beyond their medicinal applications in environmental and aesthetic contexts.
25) Kalam:
Kalam is a reference to Md. Abul Kalam Azad, one of the authors of the study. His contribution signifies the collaborative efforts in research, demonstrating the importance of teamwork in advancing pharmaceutical knowledge and cancer treatment discoveries.
26) Water:
Water is a crucial component for living organisms and influences the growth of plants such as Grevillea robusta. In this study, the water availability in the plant's native habitat may connect to the compound yield, impacting the pharmacological potential explored there.
27) Kabir:
Kabir refers to Mohammad Shah Hafez Kabir, a co-author of the study. His involvement highlights the collaborative nature of research efforts in exploring the biochemical potential of phytochemicals derived from Grevillea robusta for breast cancer therapy.
28) Honey:
Honey relates to the ecological aspects of Grevillea robusta, recognized as a good honey tree. This underscores the plant's role in biodiversity and its potential economic benefits, indicating interconnectedness among flora, fauna, and their contributions to human health.
29) Trade:
Trade refers to the economic exchange regarding goods. In the context of Grevillea robusta, its commercial value as a timber species and its use in medicinal products may point to prospects for leveraging natural resources sustainably within pharmaceutical industries.
30) Death:
Death signifies the ultimate consequence of untreated diseases like breast cancer. By emphasizing this outcome, the study underlines the urgency of developing effective treatments through advanced research methods, propelling the search for viable therapeutic compounds that can improve patient survival rates.
31) Money:
Money represents the financial aspect of research and drug development. The costs associated with conducting research can influence the direction and feasibility of exploring phytochemicals as potential cancer treatments, emphasizing the balance between investment and potential health outcomes.
32) Tamil:
Tamil refers to the ethnic group and language in which the local name for Grevillea robusta is given (savUku). This highlights the integration of traditional knowledge with scientific research and the importance of cultural context in the exploration of medicinal plants.
33) Guha:
Guha refers to Bishwajit Guha, one of the authors of the study. His contribution emphasizes the collaborative efforts in research, showcasing the multifaceted expertise needed to explore the anticancer potential of isolated phyto-chemicals from Grevillea robusta.
34) Genu:
Genu, while not mentioned prominently in this study, suggests a reference to the concept of genuineness in research. It may imply ensuring authenticity in conducting scalable research into the natural products involved, maintaining integrity throughout the drug development process.
35) Sah:
Shah refers to Sarrin Shahadat, a co-author of the study. The involvement of multiple researchers emphasizes the importance of collaborative scientific research in the advancement of knowledge, particularly in fields such as drug discovery and molecular pharmacology.
36) Rich (Rch):
Rich often describes an abundance of beneficial compounds or resources. In this study, it may relate to the richness of phytochemicals in Grevillea robusta, suggesting its potential as a valuable resource for extracting bioactive compounds for therapeutic applications.
37) Male:
Male refers to gender but is contextualized within the study focusing primarily on female breast cancer. The research recognizes the gender-specific impact of the disease, underlining the need for drug research targeting this demographic, given that breast cancer predominantly affects women.
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