Molecular docking studies for investigating and evaluating some active compounds as potent anti-tubercular agents against InhA Inhibitors: In-Silico design, MD Simulation, DFT and Pharmacokinetics studies

Molecular docking studies for investigating and evaluating some active compounds as potent anti-tubercular agents against InhA Inhibitors: In-Silico design, MD Simulation, DFT and Pharmacokinetics studies

The ongoing global challenge posed by drug-resistant strains of Mycobacterium tuberculosis underscores the urgent need for novel therapeutic strategies. In this study, a comprehensive in silico approach was utilized to design, analyse, and evaluate a series of small-molecule ...