Phytochemistry, Computational Tools and Databases in Drug Discovery

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 INDICE: 1. Introduction to phytochemistry and strategies for natural products derived drug discovery 2. Computational approaches to drug design and discovery 3. Computational tools and techniques in phytochemical drug discovery 4. Computer-aided phytochemical screening and characterization 5. Informatics and databases for phytochemical drug discovery 6. Computational high-throughput screening of phytochemicals 7. Virtual screening of novel bioactive phytochemicals 8. Computational prediction of phytochemicals biosynthesis 9. Computational prediction of phytochemicals toxicity 10. Computational designing and optimization of phytochemical leads 11. In silico models for pharmacological predictions 12. Molecular docking in drug discovery 13. Molecular dynamics simulation in drug discovery 14. In silico predictions of phytochemicals against world deadliest viral infections 15. In silico predictions of phytochemicals against world deadliest bacterial infections 16. In silico predictions of phytochemicals against world deadliest fungal infections 17. In silico predictions of phytochemicals against world deadliest parasitic infections 18. In silico predictions of phytochemicals against world deadliest cancers 19. In silico remodelling and repurposing of phytochemicals for drug discovery 20. Application of DFT method in drug discovery 21. Response Surface Methodology (RSM) in phytochemistry 22. Computational methods in metagenomics and metabolomics for drug discovery

• ISBN: 978-0-323-90593-0
• Editorial: Elsevier
• Encuadernacion: Rústica
• Páginas: 450
• Fecha Publicación: 01/08/2022
• Nº Volúmenes: 1
• Idioma: Inglés