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About Computational Phytochemistry
Product Description Computational Phytochemistry explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, thus 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 extract 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 role 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 are 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. Review A comprehensive account of the application of computational techniques to phytochemical research From the Back Cover A comprehensive account of the application of computational techniques to phytochemical research. Includes step-by-step protocols for various computational and mathematical approaches applied to phytochemical research Features clearly illustrated chapters contributed by highly reputed researchers Covers all key areas in phytochemical research, including virtual screening and metabolomics Computational Phytochemistry explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocussing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to steps such as extraction, isolation, structure determination and bioactivity testing, researchers can extract detailed information about phytochemicals and optimize their approaches to working with them. 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 role 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 are discussed. Illustrated with detailed figures and supported by practical examples Computational Phytochemistry is an indispensable guide for all those involved with the identification, extraction and application of active agents from natural products. About the editors: Satyajit D. Sarker is Director of the School of Pharmacy and Biomolecular Sciences & Professor of Pharmacy at Liverpool John Moores University, UK. With over 450 publications to his name, including 8 books, Professor Sarker has also been the Editor in Chief of the journal Phytochemical Analysis since 2010, Associate Editor of TANG Journal since 2011 and currently sits on the editorial/advisory boards of 25 journals. Lutfun Nahar is an Honorary Lecturer in the School of Pharmacy and Biomolecular Sciences at Liverpool John Moores University, UK. The Managing Editor of Phytochemical Analysis, Dr Nahar is on the editorial board of 8 journals, is a member of multiple professional bodies and has 300 publications to her name, including 6 books. About the Author Prof S
