Open access
Aug 2026
Computational Investigation of HDLP Inhibitors toward Anticancer Drug Design: Molecular Dynamics-Based Binding Energy Evaluation and Binding Pocket Characterization
Findings identify SAHA, CHR3996, ACY1215, HAD5, and HAD3 as promising HDAC inhibitor candidates for further lead optimization, experimental validation, and preclinical anticancer drug development.
Parthiban Gunasingham, Dushanan Ramachandran, D. Dissanayake et al.
· OUSL Journal · 0 citations