Molecular docking, validation, dynamic simulation and pharmacokinetic prediction of natural compounds against Mycobacterium tuberculosis Beta-lactamase BlaC
Sandra Sreekumar, J.L Bhagya Jyothi, Liji Selvanose, Subhash Chandra Pani, Niya Elizaba Rajee, Stephanie Aguero, Raphaël Terreux, Immanuel Dhanasingh
This study identifies natural inhibitors against Mycobacterium tuberculosis BlaC using molecular docking and simulations, finding Tryptoquivaline K as a stable and promising inhibitor.
bioRxiv · Jan 7, 2025 · PreprintBioinformatics