A robust computational quest: Discovering potential hits to improve the treatment of pyrazinamide‐resistant Mycobacterium tuberculosis - Shahab, Muhammad; Farias Morais, Gabriel Christian; Akash, Shopnil; Fulco, Umberto Laino; Oliveira, Jonas Ivan Nobre; Zheng, Guojun; Akter, Shahina (Journal of cellular and molecular medicine, 2024)
Keywords: ADMET; Antitubercular Agents - chemistry; Antitubercular Agents - metabolism; Antitubercular Agents - pharmacology; Computer applications; docking; Drug development; Drug resistance; Humans; Microbial Sensitivity Tests; molecular dynamic; molecular modelling; Mutation; Mycobacterium tuberculosis; Mycobacterium tuberculosis - genetics; Original; pharmacoinformatic; pharmacophore‐based virtual screening; Pyrazinamide; Pyrazinamide - chemistry; Pyrazinamide - metabolism; Pyrazinamide - pharmacology; pyrazinamide resistance; quantum chemical calculations; Research methodology; Ribosomal protein S1; Tuberculosis; Tuberculosis - microbiology; Tuberculosis, Multidrug-Resistant; Pakistan; docking; Mycobacterium tuberculosis; molecular modelling; pharmacoinformatic; quantum chemical calculations; pharmacophore‐based virtual screening; pyrazinamide resistance; molecular dynamic; ADMET