Synthesis and Evaluation of Novel Quinazolinone Thioether Linked 5-Aryl-1,2,4-Triazoles for Anticancer and Antimicrobial Activity

Abstract

A series of 5-Aryl-1,2,4-triazole derivatives linked by Quinazolin-4-one thioether were designed and synthesized through condensation reactions. The structure of the synthesized compounds was characterized using IR, NMR, and mass spectroscopy. The synthesized triazoles, coded as NSS-T, were evaluated for their in silico biological profile through molecular docking and for their in vitro anticancer and antimicrobial activity. In silico molecular modeling studies for the synthesized hybrids have shown good molecular interactions with EGFR and HDAC6 cancer targets and Sterol 14-α demethylase fungal target. From in vitro studies, all compounds were found to be active against MCF-7 (breast), A549 (lung), SiHa (cervix), and Colo 205 (colon) besides inhibitory active against Gram-negative, Gram-positive bacterial strains as well as selected fungal strains (C. albicans).

Keywords:

• 124-triazoles
• quinazolin-4(3H)-one hybrids
• quinazolinone thio ether
• 5-aryl-124-triazoles
• molecular docking
• antimicrobial
• anticancer

Subject classification codes:

• Medicinal chemistry

Acknowledgement

Authors are thankful to M/S GVK Biosciences Pvt. Ltd., for providing facilities for research and instrumental support. The authors are also thankful to Microcare Laboratory, Surat for conducting antimicrobial and antitubercular activity studies and authors also in debt to CSMCRI Bhavnagar for providing a facility for spectral analysis.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

No funding or grants were received for this research from any organization or institutions.