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Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents

Shashidhar Kerur, Kallanagouda Alagawadi, Hailiang Zhu, Fakkirappa Manvi
Published: 30 September 2012
European Journal of Chemistry , Volume 3, pp 293-297; doi:10.5155/eurjchem.3.3.293-297.613

Abstract: In the present study, synthesis and antimicrobial activity of 2,5-disubstituted 1,3,4-thiadiazole derivatives 5a-f are described. The structures of the newly synthesized compounds were confirmed by FT-IR, 1H NMR, 13C NMR, mass and elemental analysis. All compounds were screened for antitubercular and antimicrobial activity. Molecular modeling studies were performed to dock compounds into the ecKAS III binding site, which suggested probable inhibition mechanism. The results revealed that most of the compounds showed high to moderate biological activity against tested microorganisms.
Keywords: antimicrobial activity / docking studies / antimicrobial agents / Thiadiazole Derivatives / biological activity / molecular docking / 13C NMR

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