Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

Editors: Singh, Sanjeev Kumar (Ed.)

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  • 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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About this book

This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. 

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.

About the authors

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.

Table of contents (13 chapters)

Table of contents (13 chapters)
  • CADD: Some Success Stories from Sanjeevini and the Way Forward

    Pages 1-18

    Singh, Ankita (et al.)

  • Virtual Screening: Practical Application of Docking, Consensus Scoring and Rescoring Using Binding Free Energy

    Pages 19-33

    Gupta, Sunita (et al.)

  • Aspects of Protein Structure, Function, and Dynamics in Rational Drug Designing

    Pages 35-57

    Michael, Daliah (et al.)

  • Role of Advanced Computing in the Drug Discovery Process

    Pages 59-90

    Mohan, Ajitha (et al.)

  • Protein Structure, Dynamics and Assembly: Implications for Drug Discovery

    Pages 91-122

    Yazhini, Arangasamy (et al.)

Buy this book

eBook 160,49 €
price for China (P.R.) (gross)
  • ISBN 978-981-15-8936-2
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 199,99 €
price for China (P.R.) (gross)
  • ISBN 978-981-15-8935-5
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
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Bibliographic Information

Bibliographic Information
Book Title
Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design
Editors
  • Sanjeev Kumar Singh
Copyright
2021
Publisher
Springer Singapore
Copyright Holder
Springer Nature Singapore Pte Ltd.
eBook ISBN
978-981-15-8936-2
DOI
10.1007/978-981-15-8936-2
Hardcover ISBN
978-981-15-8935-5
Edition Number
1
Number of Pages
VII, 333
Number of Illustrations
23 b/w illustrations, 56 illustrations in colour
Topics