In silico identification and design of 2-(3-methoxyphenoxy)-N-methylacetamide analogs as anti-tuberculosis transcriptional regulator (EthR) inhibitors via E-pharmacophore modeling, QSAR, docking, MMGBSA, ADMET, and molecular dynamics
Tuberculosis (TB) remains a leading cause of infectious mortality worldwide, exacerbated by the emergence of multidrug-resistant strains and the dose-limiting toxicity of existing chemotherapeutics. Targeting regulatory mechanisms that potentiate current drugs offers a promising alternative strategy. EthR, a TetR-famil...