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Ligand-Based Approaches for the Development of Drugs Against SARS-CoV-2

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In Silico Modeling of Drugs Against Coronaviruses

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

Abstract

The current COVID-19 pandemic caused by SARS-CoV-2 has now seen an unprecedented global trend of viral transmission leading to over a million fatalities worldwide. SARS-CoV-2 is a betacoronavirus which possesses a single-stranded positive-sense RNA genome that encodes various structural, non-structural, and accessory proteins. Due to the zoonotic nature of SARS-CoV-2 and current transmission trend, scientists must identify effective therapeutics against the virus. Ligand-based drug designing is a computational approach based on the principle that similar compounds exhibit similar activities; hence, it is employed to identify, screen, or design drug-like molecules based on the existing drug molecules. The present chapter provides an overview of SARS-CoV-2, COVID-19, viral drug targets and dives deeply into the computational approach of ligand-based drug designing (LBDD). The chapter aims to provide a detailed methodology of LBDD and the current research endeavors that have utilized the technique to identify, screen, or design potential drug molecules against SARS-CoV-2.

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Acknowledgments

Dr. Amit Kumar Singh thanks Indian Council of Medical Research (ICMR) and Indian National Science Academy (INSA), New Delhi, India. Gizachew Muluneh Amera thanks the College of Natural Science, Wollo University, Dessie, Ethiopia for the sponsorship. The authors thank Sharda University, Greater Noida, India, for support.

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Authors and Affiliations

  1. Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, UP, India

    Ekampreet Singh, Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Jayaraman Muthukumaran & Amit Kumar Singh

  2. Department of Biotechnology, IILM College of Engineering & Technology, Greater Noida, UP, India

    Rashmi Prabha Singh

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  1. Ekampreet Singh
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  2. Rameez Jabeer Khan
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  3. Rajat Kumar Jha
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  4. Gizachew Muluneh Amera
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  5. Monika Jain
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  6. Rashmi Prabha Singh
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  7. Jayaraman Muthukumaran
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  8. Amit Kumar Singh
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Correspondence to Jayaraman Muthukumaran or Amit Kumar Singh .

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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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Singh, E. et al. (2021). Ligand-Based Approaches for the Development of Drugs Against SARS-CoV-2. 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_65

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  • DOI: https://doi.org/10.1007/7653_2020_65

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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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