Integrated QSAR, molecular docking, and dynamics-based discovery of a potent selective HDAC1 inhibitor with therapeutic potential in aggressive cancers

Journal of Molecular Graphics and Modelling 2026

View at publisher
Authors: Sampada Shelke, Rahul D. Jawarkar, Pravin N. Khatale, Umang Shah, Abdullah Yahya Abdullah Alzahrani, Abdul Samad, Sami A. Al-Hussain, Aamal. A. Al-Mutairi, Magdi E.A Zaki
DOI: 10.1016/j.jmgm.2025.109271
Cited by: 2
References: 140

Fields of Study & Subjects

Histone Deacetylase Inhibitors Research Protein Degradation and Inhibitors Computational Drug Discovery Methods

Publication details

Journal / source
Journal of Molecular Graphics and Modelling
Publisher
Elsevier BV
Volume
143
Pages
109271–109271
Publication date
3 January 2026
Language
EN