Antiviral Drug Target Identification and Ligand Discovery

Hershna Patel; Dipankar Sengupta

doi:10.1007/978-1-0716-3441-7_4

Antiviral Drug Target Identification and Ligand Discovery

Methods Mol Biol. 2024:2714:85-99. doi: 10.1007/978-1-0716-3441-7_4.

Authors

Hershna Patel¹, Dipankar Sengupta²

Affiliations

¹ School of Life and Medical Sciences, University of Hertfordshire, Hatfield, UK. h.patel28@herts.ac.uk.
² Health Data Sciences Research Group, Centre for Optimal Health, School of Life Sciences, College of Liberal Arts and Science, University of Westminster, London, UK.

PMID: 37676593
DOI: 10.1007/978-1-0716-3441-7_4

Abstract

This chapter intends to provide a general overview of web-based resources available for antiviral drug discovery studies. First, we explain how the structure for a potential viral protein target can be obtained and then highlight some of the main considerations in preparing for the application of receptor-based molecular docking techniques. Thereafter, we discuss the resources to search for potential drug candidates (ligands) against this target protein receptor, how to screen them, and preparing their analogue library. We make specific reference to free, online, open-source tools and resources which can be applied for antiviral drug discovery studies.

Keywords: Antiviral; Binding site; Compound library; Databases; Drug target; Protein structure.

Publication types

Review

MeSH terms

Antiviral Agents* / pharmacology
Drug Delivery Systems*
Drug Discovery
Ligands
Molecular Docking Simulation

Substances

Antiviral Agents
Ligands