Synthesis, molecular docking and evaluation of library of 3-mercapto-1,2,4-triazole derivatives as antimicrobial agents

Swarnagowri Nayak, Santosh L. Gaonkar, Sushruta S. Hakkimane, B. Swapna, Nitinkumar S. Shetty

Research output: Contribution to journalArticlepeer-review

Abstract

Due to the increasing microbial resistance to antibacterial and antifungal drugs, the development of new antimicrobial agents is an urgent priority. In search of newer antimicrobial agents, a series of 4,5-disubstituted-3-mercapto-1,2,4-triazole derivatives were synthesized from aromatic acids and substituted isothiocyanates. The in silico study was performed to study the binding interactions of the synthesized compounds with the active pocket of CYP51. Among the synthesized 3-mercapto-triazole derivatives, compounds 6r, 6s and 6u exhibited promising antimicrobial activity comparable to standard drugs. The results suggested that the structural modification to 3-mercapto-1,2,4-triazole derivatives could lead to promising antimicrobial scaffolds.

Original languageEnglish
Pages (from-to)3039-3046
Number of pages8
JournalAsian Journal of Chemistry
Volume33
Issue number12
DOIs
Publication statusPublished - 12-2021

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Fingerprint

Dive into the research topics of 'Synthesis, molecular docking and evaluation of library of 3-mercapto-1,2,4-triazole derivatives as antimicrobial agents'. Together they form a unique fingerprint.

Cite this