Phytochemistry, Computational Tools, and Databases in Drug Discovery

by Chukwuebuka Egbuna PhD (Editor), Mithun Rudrapal PhD (Editor), Habibu Tijjani (Editor)

Overview

Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds. Useful for drug developers, medicinal chemists, toxicologists, phytochemists, plant biochemists and analytical chemists, this book clearly presents the various computational techniques, tools and databases for phytochemical research. - Provides the various databases, methods and procedures for computational drug discovery in plants - Includes insights into the predictors for properties of phytochemicals against different diseases - Discusses the applications of computational tools and their databases

Product Details

ISBN-13:	9780323907163
Publisher:	Elsevier Science
Publication date:	11/30/2022
Series:	Drug Discovery Update
Sold by:	Barnes & Noble
Format:	eBook
Pages:	490
File size:	22 MB
Note:	This product may take a few minutes to download.

About the Author

Chukwuebuka Egbuna (PhD) is a chartered chemist and academic researcher. He is a member of the Institute of Chartered Chemists of Nigeria (ICCON), the Nigerian Society of Biochemistry and Molecular Biology (NSBMB), and the Royal Society of Chemistry (RSC) (United Kingdom). Dr. Egbuna is the founder and editor of the Elsevier book series on Drug Discovery Update. The series includes books, monographs, and edited collections from all areas of drug discovery including emerging therapeutic claims for the treatment of diseases. He has published research articles in many international journals of repute and is ranked among the top 500 Nigerian scientists in SciVal/SCOPUS. He has edited more than 25 books with Elsevier, Springer, Wiley, and Taylor & Francis. His most recent book is the three volume Coronavirus Drug Discovery, published by Elsevier. Dr. Egbuna is the founder and the publishing director of IPS Intelligentsia Publishing Services.
Mithun Rudrapal, PhD, FIC, FICS, CChem (India), is Associate Professor at the Department of Pharmaceutical Sciences, School of Biotechnology & Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research (Deemed to be University), Guntur, India. Dr. Rudrapal has been actively engaged in teaching and research in the field of Pharmaceutical and Allied Sciences for more than 13 years. He has over a hundred publications in peer-reviewed international journals to his credit and has filed a number of Indian and International patents. In addition, Dr. Rudrapal is the author of dozen published or forthcoming books. Dr. Rudrapal works in the areas of Medicinal Chemistry, CADD, Drug Repurposing, Phytochemistry, Herbal Drugs and Dietary Polyphenols.
Habibu Tijjani works in the Department of Biochemistry, Natural Product Research Laboratory at Bauchi State University Gadau in Nigeria.

Table of Contents

1. Phytochemistry, history and progress in drug discovery2. Trends in modern-day drug discovery and development: a glance in the present millennium3. Computational phytochemistry, databases and tools4. Computational approaches in drug discovery from phytochemicals5. Informatics and database for phytochemical drug discovery6. In silico approaches in repurposing of bioactive natural products for drug discovery7. Virtual screening of phytochemicals for drug discovery8. Roles of metagenomics and metabolomics in computational drug discovery9. Molecular docking and molecular dynamics in natural products-based drug discovery10. Computational screening of phytochemicals for antibacterial drug discovery11. Computational screening of phytochemicals for antiviral drug discovery12. Computational screening of phytochemicals for antiparasitic drug discovery13. Computational screening of phytochemicals for antidiabetic drug discovery14. Computational screening of phytochemicals for anticancer drug discovery15. Application of artificial intelligence and machine learning in natural products-based drug discovery16. Roles of AI and machine learning approach in natural products-based drug discovery17. Application of density functional theory (DFT) and response surface methodology (RSM) in drug discovery18. Therapeutic potentials of medicinal plants and significance of computational tools in anticancer drug discovery

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From the Publisher

Presents state-of-the-art computational techniques used in the study of phytochemicals in drug discovery research