Topics in Medicinal Chemistry

Biophysical and Computational Tools in Drug Discovery

Editors: Saxena, Anil Kumar (Ed.)

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  • Reviews recent biophysical techniques used in drug discovery
  • Outlines the most exciting advances in computational drug design
  • Explores computational search techniques applied to peptide vaccines
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eBook 213,99 €
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  • ISBN 978-3-030-85281-8
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Hardcover 259,99 €
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  • ISBN 978-3-030-85280-1
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About this book

This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.

About the authors

Dr. Anil K. Saxena, Emeritus Scientist, Ex-Chief Scientist Central Drug Research Institute, Lucknow, India, is actively involved in the fields of Medicinal Chemistry & Computer Aided Drug Design (CADD). With 50+ years of research experience, several publications in journals and books, and 70 patents, he is the recipient of numerous awards, including the Alexander von Humboldt Fellowship, INSA Young Scientist Medal , Themis Chemicals UDCT Diamond Jubilee Distinguished Fellowship, Ranbaxy Research Award in Pharmaceutical Sciences, an Honorary Medal for outstanding contributions to Medicinal Chemistry and International Scientific collaboration Moscow, Russia, 2004, and Prof. P.K. Bose Memorial Award (Indian Chemical Society, 2009). Dr. Saxena is a Fellow of the Royal Society of Chemistry, UK, and is also series editor of “Topics in Medicinal Chemistry” published by Springer. He is the Editorial Board Member of different journals like Medicinal Chemistry Research, SAR and QSAR in Environmental Research, Current Topics in Medicinal Chemistry and online International journal ARKIVOC, and he is also member of several committees including the American Chemical Society.

 

 


Table of contents (10 chapters)

Table of contents (10 chapters)
  • Kinetic Profiling of Ligands and Fragments Binding to GPCRs by TR-FRET

    Pages 1-32

    Sykes, David A. (et al.)

  • Role of Mass Spectrometry in Modern Herbal Drug Research

    Pages 33-64

    Kumar, Brijesh (et al.)

  • Protein Labeling and Structure Determination by NMR Spectroscopy

    Pages 65-131

    Mundra, Surbhi (et al.)

  • Relativistic Quantum Chemical and Molecular Dynamics Techniques for Medicinal Chemistry of Bioinorganic Compounds

    Pages 133-193

    Balasubramanian, Krishnan

  • A Computational Search for Peptide Vaccines Using Novel Mathematical Descriptors of Sequences of Emerging Pathogens

    Pages 195-220

    Chatterjee, Shreyans (et al.)

Buy this book

eBook 213,99 €
price for Spain (gross)
  • ISBN 978-3-030-85281-8
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 259,99 €
price for Spain (gross)
  • ISBN 978-3-030-85280-1
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Shipping restrictions
  • Usually ready to be dispatched within 3 to 5 business days, if in stock
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
Biophysical and Computational Tools in Drug Discovery
Editors
  • Anil Kumar Saxena
Series Title
Topics in Medicinal Chemistry
Series Volume
37
Copyright
2021
Publisher
Springer International Publishing
Copyright Holder
The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerland AG
eBook ISBN
978-3-030-85281-8
DOI
10.1007/978-3-030-85281-8
Hardcover ISBN
978-3-030-85280-1
Series ISSN
1862-2461
Edition Number
1
Number of Pages
VIII, 402
Number of Illustrations
14 b/w illustrations, 20 illustrations in colour
Topics