Overview
Highlights the role of phylogeny and molecular dynamics simulation in the drug discovery process
Presents in-silico models and enzymes that are involved in drug metabolism
Explores the role of receptor flexibility in structure-based drug design
Illustrates state-of-art CADD technology
Highlights the latest advances in drug research utilizing informatics tools
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Table of contents (13 chapters)
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Front Matter
Keywords
About this book
In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.
Editors and Affiliations
About the editor
Dr. Singh is currently Professor at Department of Bioinformatics, Alagappa University, Karaikudi (TN), India. He received his graduation, post graduation and Doctoral degree in Theoretical chemistry from the CSJM University, Kanpur. Before joining Alagappa, he worked as scientist in NIPER, Mohali, Punjab and Assistant Professor, Madurai Kamaraj University, Tamil Nadu. Prof. Singh possess extensive exposure and achieved a distinct landmark in the area of Drug Discovery and development on specific therapeutic targets of Viruses, Bacterial pathogens and Cancer. He has received “ICMR Lala RAM Chand Kandhari Award and Fellow of BRSI Award”. He is the Secretary General of Bioinformatics and Drug Discovery Society (BIDDS), and MNASc, Member of “The National Academy of Sciences”, India and published more than 130 research articles in highly reputed journals.
Bibliographic Information
Book Title: Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design
Editors: Sanjeev Kumar Singh
DOI: https://doi.org/10.1007/978-981-15-8936-2
Publisher: Springer Singapore
eBook Packages: Computer Science, Computer Science (R0)
Copyright Information: Springer Nature Singapore Pte Ltd. 2021
Hardcover ISBN: 978-981-15-8935-5Published: 03 February 2021
Softcover ISBN: 978-981-15-8938-6Published: 04 February 2022
eBook ISBN: 978-981-15-8936-2Published: 02 February 2021
Edition Number: 1
Number of Pages: VII, 333
Number of Illustrations: 23 b/w illustrations, 56 illustrations in colour
Topics: Bioinformatics, Protein Science, Protein Structure, Protein-Ligand Interactions