Open AccessSynthesis, Molecular Docking and Evaluation of Library of 3-Mercapto-1,2,4-Triazole Derivatives as Antimicrobial Agents
Author(s) -
Swarnagowri Nayak,
Santosh L. Gaonkar,
Sushruta S. Hakkimane,
B Swapna,
Nitinkumar S. Shetty
Publication year - 2021
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2021.23472
Subject(s) - antimicrobial , chemistry , combinatorial chemistry , antifungal , triazole , 1,2,4 triazole , docking (animal) , in silico , stereochemistry , organic chemistry , biochemistry , microbiology and biotechnology , biology , medicine , nursing , gene
Due to the increasing microbial resistance to antibacterial and antifungal drugs, the development ofnew antimicrobial agents is an urgent priority. In search of newer antimicrobial agents, a series of4,5-disubstituted-3-mercapto-1,2,4-triazole derivatives were synthesized from aromatic acids andsubstituted isothiocyanates. The in silico study was performed to study the binding interactions of thesynthesized compounds with the active pocket of CYP51. Among the synthesized 3-mercapto-triazolederivatives, compounds 6r, 6s and 6u exhibited promising antimicrobial activity comparable to standarddrugs. The results suggested that the structural modification to 3-mercapto-1,2,4-triazole derivativescould lead to promising antimicrobial scaffolds.