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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 (1,*) , Kallanagouda Alagawadi (2) , Hailiang Zhu (3) , Fakkirappa Manvi (4)
(1) Department of Pharmaceutical Chemistry, Karnataka Lingayath Education University College of Pharmacy, Belgaum, 580010, India
(2) Department of Pharmaceutics, Karnataka Lingayath Education University College of Pharmacy, Hubli, 580031, India
(3) State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing, 210093, China
(4) Department of Pharmaceutics, Karnataka Lingayath Education University College of Pharmacy, Hubli, 580031, India
(*) Corresponding Author
Received: 13 Apr 2012 | Accepted: 25 Jun 2012 | Published: 30 Sep 2012 | Issue Date: September 2012
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.
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DOI Link: https://doi.org/10.5155/eurjchem.3.3.293-297.613
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European Journal of Chemistry 2012, 3(3), 293-297 | doi: https://doi.org/10.5155/eurjchem.3.3.293-297.613 | Get rights and content
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