Pharmacophore modeling, 2D-QSAR, Molecular Docking and ADME studies for the discovery of inhibitors of PBP2a in MRSA
Fredrick Mutie Musila, Grace Wairimu Gitau, Peris Wanza Amwayi, James Munyao Kingoo, Dickson B. Kinyanyi, Patrisio Njiru Njeru
The paper identifies potential inhibitors of PBP2a in MRSA using pharmacophore modeling, 2D-QSAR, docking, and MD simulations, highlighting two compounds with favorable ADME properties and binding potential.
Journal of Biomolecular Structure and Dynamics · May 19, 2025Peer-reviewedBioinformatics