Green Acid Mediated Synthesis of Imidazo[1,2-a]Pyrimidine-Thiazole/1,3,4-Thiadiazole Hybrids: Design, Characterization and In-Vitro Biological Evaluation.

Authors

Dinesha P, Shivakumar Naik, Udayakumar D, Maithilee S Dhekale, Sampat Parayya Vibhutimath, Rajkumar Reddy Rajula, Revanasiddappa B C, Nanditha Bhat, Naveena S Veeranagaiah

Published in

Chemistry & biodiversity. Volume 23. Issue 10. Pages e71857.

Abstract

This work reports the design and development of two series of imine-linked imidazo[1,2-a]pyrimidine-thiazole/1,3,4-thiadiazole derivatives using a molecular hybridization approach as anti-tubercular agents. A total of thirty-seven new hybrid compounds (B1-B37) were synthesized and characterized. One final molecule, B20, was structurally confirmed by single-crystal x-ray diffraction analysis. All the final compounds (B1-B37) were tested for activity against the Mycobacterium tuberculosis H37Rv strain. Compounds B5, B26, and B30 exhibited significant inhibitory effects, with MICs of 12.5, 12.5, and 6.25 µg/mL, respectively. All novel final compounds also displayed effective antibacterial action against four bacterial strains S. aureus, E. coli, B. subtilis, and P. aeruginosa. Toxicity tests on mouse fibroblast (L929) cell lines revealed that the highly active anti-TB compounds (B5, B26, and B30) were nontoxic. Furthermore, the outcomes of the in silico ADME evaluation, DFT analysis, molecular docking studies (targeting CYP121 and InhA), and dynamic simulation demonstrated the potent compounds' great potential as prospective scaffolds for the development of novel antitubercular drugs.

PMID:
42904789
Bibliographic data and abstract were imported from PubMed on 23 Oct 2026.

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