QSAR, Antimicrobial, and Antiproliferative Study of (R/S)-2-Thioxo-3,4-dihydropyrimidine-5-carboxanilides.

ABSTRACT: Owing to the significant contribution of three-dimensional (3D) field-based QSAR toward hit optimization and accurately predicting the activities of small molecules, herein, the 3D-QSAR, in vitro antimicrobial, molecular docking, and pharmacophore modeling studies of all the isolated (R/S)-2-thioxo-DHPM-5-carboxanilides exhibiting antimicrobial activity were carried out. The screening process was performed using 46 compounds, and the best-scoring model with the top statistical values was considered for bacterial and fungal targets Bacillus subtilis and Candida albicans. As a result of 3D-QSAR analysis, compound 4v-(S)- and 4v-(R)-isomers were found to be more potent compared to the standard drugs tetracycline and fluconazole, respecti

SUBMITTER: Parmar MP 

PROVIDER: S-EPMC11866182 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature