Challenges and Advances in Computational Chemistry and Physics

Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Editors: Mohan, C. Gopi (Ed.)

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  • Examines successes, risks, and challenges of in-silico drug discovery
     
    Offers integrated case studies, including a discussion of drug resistance with respect to structure-based drug design
     
    Reviews the application of big data in drug discovery

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  • ISBN 978-3-030-05282-9
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Hardcover $159.99
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About this book

This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery.
The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.

About the authors

Dr. C. Gopi Mohan is an Associate Professor at the Center for Nanosciences and Molecular Medicine, specializing in the areas of structural bioinformatics, structure-based drug design, protein crystallography, and nanoinformatics. He graduated from Banaras Hindu University with a PhD in Physics and gained experience as a postdoctoral researcher at the Indian Institute of Science, Bangalore (India), as a research officer at the University of Bath (UK) and as an associate researcher at the University Henri Poincare, Nancy (France). Further, he worked as a member of the faculty at the National Institute of Pharmaceutical Education & Research (NIPER), Mohali, Punjab. Dr. Gopi Mohan has published more than 70 research papers in refereed journals and was cited as an internationally recognized expert in the field of Structural Bioinformatics and Chemoinformatics by Synergix Ltd. (UK) founded by Dr. N.C. Cohen, a pioneer of rational drug design. Recently he was awarded the ICMR Senior Biomedical Scientist International Fellowship to visit US laboratories for research collaborations.

Table of contents (12 chapters)

Table of contents (12 chapters)
  • Free Energy-Based Methods to Understand Drug Resistance Mutations

    Martis, Elvis A. F. (et al.)

    Pages 1-24

  • Pharmacophore Modelling and Screening: Concepts, Recent Developments and Applications in Rational Drug Design

    Choudhury, Chinmayee (et al.)

    Pages 25-53

  • Analysis of Protein Structures Using Residue Interaction Networks

    Shcherbinin, Dmitrii (et al.)

    Pages 55-69

  • Combinatorial Drug Discovery from Activity-Related Substructure Identification

    Rizvi, Md. Imbesat Hassan (et al.)

    Pages 71-108

  • In Silico Structure-Based Prediction of Receptor–Ligand Binding Affinity: Current Progress and Challenges

    Panday, Shailesh Kumar (et al.)

    Pages 109-175

Buy this book

eBook $119.00
price for USA in USD (gross)
  • ISBN 978-3-030-05282-9
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $159.99
price for USA in USD
  • ISBN 978-3-030-05281-2
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
Editors
  • C. Gopi Mohan
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
27
Copyright
2019
Publisher
Springer International Publishing
Copyright Holder
Springer Nature Switzerland AG
eBook ISBN
978-3-030-05282-9
DOI
10.1007/978-3-030-05282-9
Hardcover ISBN
978-3-030-05281-2
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XII, 406
Number of Illustrations
27 b/w illustrations, 79 illustrations in colour
Topics