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parsed(2021-08-04) - pubdate: 2021-08-04
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pub date: 1628053200
today: 1711688400, pubdate > today = false

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In Silico Modeling of Drugs Against Coronaviruses

Computational Tools and Protocols

August 4, 2021 | Trade Paperback
ISBN: 9781071613689
$393.95
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Description

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 theMethods in Pharmacology and Toxicologyseries, 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 Protocolsis 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.

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About this Author

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 theCommonwealth Academic Staff Fellowship (University of Manchester, 2007) andMarie 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 SCOPUShindex 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 theCo-Editor-in-Chief ofMolecular Diversity (Springer Nature) andEditor-in-Chief ofInternational 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 likeChemosphere(Elsevier),Journal of HazardousMaterials(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).

ISBN: 9781071613689
Format: Trade Paperback
Series: Methods in Pharmacology and Toxicology
Pages: 788
Publisher: Humana
Published: 2021-08-04

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