MOLECULAR DOCKING STUDIES OF THIAZOLOPYRIMIDINE DERIVATIVES AS ANTIMICROBIAL AGENTS

Abstract

Antimicrobial agents are essential drugs for the health of humans and animals as they cure infectious diseases produced by several contagious strains (bacteria, fungi, parasites, and viruses). Antibiotics efficacy is restricted by an increased number of antibiotic-resistant bacteria. Computational chemistry is crucial in the development of novel potential therapeutics. In this study, the objective was to integrate the two separately bioactive molecules, i.e., thiazoles and pyrimidines into one molecule to produce compounds with better pharmacological activity. Various thiazolo-pyrimidine derivatives were planned through a suitable synthetic scheme and were docked on DNA gyrase subunit B and dihydrofolate reductase, which are established targets for microbial infection. The results were studied and the findings were compared to two known medications as well as potential inhibitors. The result recognizes few thiazolo-pyrimidine derivatives with increased binding efficiency leading to enhanced potency.