Discovery of Natural MCL1 Inhibitors using Pharmacophore modelling, QSAR, Docking, ADMET, Molecular Dynamics, and DFT Analysis
Uddalak Das, Tathagata Chanda, Jitendra Kumar, Anitha Peter
The paper identifies two potential MCL1 inhibitors through computational methods including pharmacophore modeling, QSAR, docking, and DFT analysis, showing favorable ADMET properties and binding stability.
Computational Biology and Chemistry · Mar 16, 2025Peer-reviewedBioinformatics