Phytochemistry Computational Tools And Databases In Drug Discovery
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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
Computational Phytochemistry
Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches.This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products.This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals. - Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research - Features clearly illustrated chapters contributed by highly reputable researchers - Covers all key areas in phytochemical research, including virtual screening and metabolomics
Phytochemical Drug Discovery for Central Nervous System Disorders
Author: Chukwuebuka Egbuna
language: en
Publisher: John Wiley & Sons
Release Date: 2023-06-23
PHYTOCHEMICAL DRUG DISCOVERY FOR CENTRAL NERVOUS SYSTEM DISORDERS Understand herbal and plant-based treatments for chronic disorders with this groundbreaking work Due in part to the aging of the global population, disorders of the central nervous system have become an increasingly grave public health concern in recent years. Demand for pharmaceutical treatments has been correspondingly high, but there are many barriers to the successful development of effective synthetic drugs. Phytomedicines, or plant-based and herbal medicines, have proven to be an effective alternative, boasting lower toxicity and cost and higher efficacy, and one that demands greater research and broader-based practitioner knowledge. Phytochemical Drug Discovery for Central Nervous System Disorders meets this demand with a timely, clearly-structured guide. It thorough coverage presents a wide range of phytochemicals with potential as candidates for drug discovery, describing their sources, properties, and therapeutic efficacy. The result is a vital contribution to the ongoing fight against central nervous system (CNS) disorders. Phytochemical Drug Discovery for Central Nervous System Disorders readers will also find: Detailed treatment of CNS-active plant products, neuroprotective chemicals, plant-based nutraceutical products, and more Up-to-date information on FDA-approved drugs and existing plant-based products used to treat CNS disorders An authorial team featuring experts from across the globe Phytochemical Drug Discovery for Central Nervous System Disorders is essential for drug discovery scientists, drug developers, medicinal chemists, biochemists, and any researchers and professionals in the health care or pharmaceutical industries.