Affiliation:
1. Department of Chemistry Government Science College Bangalore 560001 Karnataka India
2. Department of Chemistry Bangalore University, Jnanabharathi Campus Bengaluru 560056 Karnataka India
3. Department of Chemistry Indian Institute of Technology Kanpur Centre for Environmental Science and Engineering Uttar Pradesh 208016 India
4. Laboratory Division National Tuberculosis Institute Bangalore 560003 Karnataka India
5. Department of Microbiology University of Madras, Taramani campus Chennai 600113 India
Abstract
AbstractIn this study, we synthesized and characterized various 6‐(pyrazolyl)‐indole derivatives using various spectroscopic techniques (1H, 13C, FT‐IR and Mass). Substituents including electron‐withdrawing (formyl, nitrile, carboxylic acid, ester, amide, nitro) and donating groups (methylene alcohol, chloro) were introduced at the 5th position of the pyrazole ring, yielding pyrazole‐indole compounds (16 a–16 r). These compounds were assessed for anti‐tuberculosis screening against H37Rv and Mycobacterium tuberculosis strains. Notably, 16 c, 16 j, and 16 o showed potent activity (Minimum Inhibitory Concentration <25 μg/mL) compared to standard drugs such as Rifampicin, Isoniazid, and Pyrazinamide. Molecular level understanding was enhanced through density functional theory (DFT) geometry optimization preceding molecular docking, revealing significant interactions between ligand and protein, supporting the antitubercular activity of 16 c, 16 j, and 16 o.