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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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

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.

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Keywords


1,3,4-Thiadiazole; Phenacyl bromide; Molecular docking; Antimicrobial activity; Antitubercular activity; Mycobacterium tuberculosis

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DOI: 10.5155/eurjchem.3.3.293-297.613

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Citations

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[1]. Mahmoud R. Mahmoud, Manal M. El-Shahawi, Fatma S. Abu El-Azm, Mohamed Abdeen
Synthesis and Antimicrobial Activity of Polyfunctionally Substituted Heterocyclic Compounds Derived from 5-Cinnamoylamino-2-Cyanomethyl-1,3,4-Thiadiazole
Journal of Heterocyclic Chemistry  54(4), 2352, 2017
DOI: 10.1002/jhet.2824
/


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How to cite


Kerur, S.; Alagawadi, K.; Zhu, H.; Manvi, F. Eur. J. Chem. 2012, 3(3), 293-297. doi:10.5155/eurjchem.3.3.293-297.613
Kerur, S.; Alagawadi, K.; Zhu, H.; Manvi, F. Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents. Eur. J. Chem. 2012, 3(3), 293-297. doi:10.5155/eurjchem.3.3.293-297.613
Kerur, S., Alagawadi, K., Zhu, H., & Manvi, F. (2012). Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents. European Journal of Chemistry, 3(3), 293-297. doi:10.5155/eurjchem.3.3.293-297.613
Kerur, Shashidhar, Kallanagouda Alagawadi, Hailiang Zhu, & Fakkirappa Manvi. "Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents." European Journal of Chemistry [Online], 3.3 (2012): 293-297. Web. 3 Dec. 2022
Kerur, Shashidhar, Alagawadi, Kallanagouda, Zhu, Hailiang, AND Manvi, Fakkirappa. "Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents" European Journal of Chemistry [Online], Volume 3 Number 3 (30 September 2012)

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