Methods in Pharmacology and Toxicology
cover

In Silico Modeling of Drugs Against Coronaviruses

Computational Tools and Protocols

Editors: Roy, Kunal (Ed.)

  • Documents protocols and case studies of computational drug design and computational drug repurposing
  • Features structure-based and ligand-based approaches in drug design 
  • Covers machine learning/deep learning techniques in the development of coronavirus therapies
  • Includes online tools and databases useful for computational anti-coronavirus drug development
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eBook  
  • ISBN 978-1-0716-1366-5
  • Digitally watermarked, DRM-free
  • Included format:
  • ebooks can be used on all reading devices
Hardcover ca. 259,99 €
price for Spain (gross)
  • Due: May 30, 2021
  • ISBN 978-1-0716-1365-8
  • with online files
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • The final prices may differ from the prices shown due to specifics of VAT rules
About this book

This essential volume explores a variety of tools and protocols of structure-based (homology modeling, molecular docking, molecular dynamics, protein-protein interaction network) and ligand-based (pharmacophore mapping, quantitative structure-activity relationships or QSARs) drug design for ranking and prioritization of candidate molecules in search of effective treatment strategy against coronaviruses. Beginning with an introductory section that discusses coronavirus interactions with humanity and COVID-19 in particular, the book then continues with sections on tools and methodologies, literature reports and case studies, as well as online tools and databases that can be used for computational anti-coronavirus drug research. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical detail and implementation advice that ensures high quality results in the lab. 
Comprehensive and timely, In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols is an ideal reference for researchers working on the development of novel anti-coronavirus drugs for SARS-CoV-2 and for coronaviruses that will likely appear in the future.

About the authors

Dr. Kunal Roy is Professor & Head of the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India (https://sites.google.com/site/kunalroyindia). He has been a recipient of the Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Incoming Fellowship (University of Manchester, 2013) and was a former visiting scientist of Istituto di Ricerche Farmacologiche "Mario Negri" IRCCS, Milano. Italy. The field of his research interest is Quantitative Structure-Activity Relationship (QSAR) and Molecular Modeling with application in Drug Design, Property Modeling, and Predictive Ecotoxicology. Dr. Roy has published more than 300 research articles (ORCID: http://orcid.org/0000-0003-4486-8074) in refereed journals (current SCOPUS h index 43; total citations till date 9562). He has also coauthored two QSAR related books (with Academic Press and Springer Nature), edited six QSAR books (Springer Nature, Academic Press, and IGI Global), and published more than ten book chapters. Dr. Roy is the Co-Editor-in-Chief of Molecular Diversity (Springer Nature) and Editor-in-Chief of International Journal of Quantitative Structure-Property Relationships (IGI Global). Dr. Roy serves on the Editorial Boards of several international journals including (1) European Journal of Medicinal Chemistry (Elsevier); (2) Journal of Molecular Graphics and Modelling (Elsevier); (3) Computational and Structural Biotechnology Journal (Elsevier); (4) Chemical Biology and Drug Design (Wiley); (5) Expert Opinion on Drug Discovery (Informa); (6) Letters in Drug Design and Discovery (Bentham); and (7) Current Computer-Aided Drug Design (Bentham). Apart from this, Prof. Roy is a regular reviewer for QSAR papers in the journals like Chemosphere (Elsevier), Journal of Hazardous Materials (Elsevier), Ecotoxicology and Environmental Safety (Elsevier), Journal of Chemical Information and Modeling (ACS), ACS Omega (ACS),  RSC Advances (RSC), Molecular Informatics (Wiley), SAR and QSAR in Environmental Research (T&F), etc. Prof. Roy has been recipient of several awards including the AICTE Career Award (2003-04), DST Fast Track Scheme for Young Scientists (2005), Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006, 2004-2007, and 2006-2009 Awards from Elsevier, The Netherlands,  Bioorganic and Medicinal Chemistry Letters Most Cited Paper 2006-2009 Award from Elsevier, The Netherlands, Professor R. D. Desai 80th Birthday Commemoration Medal & Prize (2017) from Indian Chemical Society, etc. Prof. Roy has been a participant in the EU funded projects nanoBRIDGES and IONTOX apart from several national government funded projects (UGC, AICTE, CSIR, ICMR, DBT, DAE). Prof. Roy has recently been placed in the list of Top 2% science-wide author database of the world (World rank 81 in the subfield of Medicinal & Biomolecular Chemistry)  (https://doi.org/10.1371/journal.pbio.3000918).

Buy this book

eBook  
  • ISBN 978-1-0716-1366-5
  • Digitally watermarked, DRM-free
  • Included format:
  • ebooks can be used on all reading devices
Hardcover ca. 259,99 €
price for Spain (gross)
  • Due: May 30, 2021
  • ISBN 978-1-0716-1365-8
  • with online files
  • Free shipping for individuals worldwide
  • Institutional customers should get in touch with their account manager
  • Covid-19 shipping restrictions
  • 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
In Silico Modeling of Drugs Against Coronaviruses
Book Subtitle
Computational Tools and Protocols
Editors
  • Kunal Roy
Series Title
Methods in Pharmacology and Toxicology
Copyright
2021
Publisher
Springer US
Copyright Holder
The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature
eBook ISBN
978-1-0716-1366-5
Hardcover ISBN
978-1-0716-1365-8
Series ISSN
1557-2153
Edition Number
1
Number of Illustrations
29 b/w illustrations, 162 illustrations in colour
Topics