Efficient synthesis, dual anti-tubercular and antioxidant activity of triazole-acetophenone derivatives: enhanced efficacy <i>via</i> esterification and quantum mechanical validation of CYP121 binding.

ABSTRACT: A series of twelve novel triazole-based acetophenone derivatives (3a-3f and 4a-4f) was efficiently synthesized via a catalyst-free 1,3-dipolar cycloaddition reaction, integrating a known CYP121 inhibiting scaffold with dual anti-tubercular and antioxidant properties. The anti-tubercular screening demonstrated that the ethyl ester derivatives (series 4) possessed significantly superior activity compared to their carboxylic acid counterparts (series 3). Specifically, compounds 4b, 4d, and 4e exhibited the highest potential, with MIC values (2.60 ± 1.12 to 3.25 ± 1.12 µg mL^-1) nearly comparable to rifampicin (1.62 ± 0.56 µg mL^-1). All derivatives also displayed moderate to excellent DPPH and hydroxyl radical scavenging activity, alongside minimal cytotoxicity towa

SUBMITTER: Jagtap RA 

PROVIDER: S-EPMC12805941 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature