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Updated: Jun 23, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
Homology modeling in drug discovery: current trends and applications
Claudio N Cavasotto1, Sharangdhar S Phatak
1School of Health Information Sciences, The University of Texas Health Science Center at Houston, 7000 Fannin, Suite 860B, Houston, TX 77030, United States. Claudio.N.Cavasotto@uth.tmc.edu
Abstract:
As structural genomics (SG) projects continue to deposit representative 3D structures of proteins, homology modeling methods will play an increasing role in structure-based drug discovery. Although computational structure prediction methods provide a cost-effective alternative in the absence of experimental structures, developing accurate enough models still remains a big challenge. In this contribution, we report the current developments in this field, discuss in silico modeling limitations, and review the successful application of this technique to different stages of the drug discovery process.
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