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Drug Databases for Development of Therapeutics Against Coronaviruses

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In Silico Modeling of Drugs Against Coronaviruses

Part of the book series: Methods in Pharmacology and Toxicology ((MIPT))

Abstract

Within a span of 11 months starting from December 2019, around 47.6 million people have been infected with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), including the number of deaths touching 1,215,601 on November 3, 2020. The number increases at an alarming rate with a possible second wave of Coronavirus Disease 2019 (COVID-19) throughout the world. A clear threat of another lockdown is looming over the social life and economy. Thus, scientists worldwide are running against the time to find small drug molecules as therapeutics and possible vaccines to relieve the world. Over the past months, computational chemistry and computer-aided drug design (CADD) have shown encouraging promises in generating multiple lead/hit compounds by employing powerful virtual screening techniques (VS) and drug repurposing of various approved and experimental drugs. The present chapter has enlisted and discussed the top 25 small molecule databases, including both synthetic as well as natural compounds. Most of the databases are freely available for research purposes, which can be strategically screened employing multiple computational techniques to discover therapeutics for COVID-19.

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Acknowledgments

SK and JL are thankful to the National Science Foundation (NSF/CREST HRD-1547754 and NSF/RISE HRD-1547836) for financial support.

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Authors and Affiliations

  1. Department of Chemistry, Physics and Atmospheric Sciences, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, MS, USA

    Supratik Kar & Jerzy Leszczynski

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  1. Supratik Kar
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  2. Jerzy Leszczynski
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Correspondence to Jerzy Leszczynski .

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Editors and Affiliations

  1. Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India

    Kunal Roy

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Kar, S., Leszczynski, J. (2021). Drug Databases for Development of Therapeutics Against Coronaviruses. In: Roy, K. (eds) In Silico Modeling of Drugs Against Coronaviruses. Methods in Pharmacology and Toxicology. Humana, New York, NY. https://doi.org/10.1007/7653_2020_66

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  • DOI: https://doi.org/10.1007/7653_2020_66

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-1365-8

  • Online ISBN: 978-1-0716-1366-5

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