Phytochemistry, Computational Tools, and Databases in Drug Discovery

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.

• 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