Phytochemistry, Computational Tools, and Databases in Drug Discovery
Published on 30. November 2022
490 pages
978-0-323-90716-3 (ISBN)
Description
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
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Other editions
Additional editions
Chukwuebuka Egbuna | Mithun Rudrapal | Habibu Tijjani
Phytochemistry, Computational Tools, and Databases in Drug Discovery
Book
12/2022
Elsevier
€227.50
Shipment within 15-20 days
Content
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
