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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Investigation of Novel Etoricoxib Analogues as Potential COX-II Inhibitors through a Bioisosteric Strategy, ADMET

Girija Prasad Swain1, Sanmati Kumar Jain1, Ajay Kumar Gupta1

  • 1Drug Discovery and Research Laboratory, Department of Pharmacy, Guru Ghasidas Vishwavidyalaya (A Central University), Bilaspur, Chhattisgarh, 495009, India.

Current Computer-Aided Drug Design
|July 2, 2025
PubMed
Abstract

Keywords:
ADMETBioisosteric approachMolOptetoricoxibmolecular dockingmolecular dynamics simulation

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