Synthesis, antibacterial activity, in silico ADMET prediction, docking, and molecular dynamics studies of substituted phenyl and furan ring containing thiazole Schiff base derivatives.

ABSTRACT: This study synthesized eighteen phenyl and furan rings containing thiazole Schiff base derivatives 2(a-r) in five series, and spectral analyses confirmed their structures. The in vitro antibacterial activities of the synthesized analogs against two gram-positive and two gram-negative bacteria were evaluated by disk diffusion technique. Compounds (2d) and (2n) produced prominently high zone of inhibition with 48.3 ±  0.6 mm and 45.3 ±  0.6 mm against B. subtilis, respectively, compared to standard ceftriaxone (20.0 ±  1.0 mm). However, the antibacterial potency of the compounds with furan ring was more notable than that of phenyl ring-containing derivatives. Molecular docking and dynamic study were performed based on the wet lab outcomes of (2d) and (2n), where both derivatives remained in

SUBMITTER: Islam MD 

PROVIDER: S-EPMC11892886 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature