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Issue 6, 2015
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1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking study

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Abstract

Searching for new active molecules against Mycobacterium tuberculosis (MTB) H37Ra, a small focused library of 1,2,3-triazoles has been efficiently prepared via a click chemistry approach. The newly synthesized compounds were tested against drug-sensitive MTB. Several derivatives were found to be promising inhibitors of MTB characterized by lower MIC values (5.8–29.9 μg mL−1). Among all the synthesized 31 compounds, 15e was the most active compound against MTB. Based on the results from the anti-tubercular activity, SAR for the synthesized series has been developed. The active compounds from the anti-tubercular study were further tested for anti-proliferative activity against THP-1, A549 and PANC-1 cell lines using MTT assay and showed no significant cytotoxic activity against these three cell lines except THP-1 at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activities with an IC50 range of 10.1–37.3 μg mL−1. The molecular docking study of the synthesized compounds was performed against the DprE1 enzyme of MTB to understand the binding interactions. Moreover, the synthesized compounds were also analysed for ADME properties and all the experimental results promote us to consider this series as a starting point for the development of novel and more potent anti-tubercular agents in the future.

Graphical abstract: 1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking study

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Supplementary files

Article information


Submitted
09 Feb 2015
Accepted
27 Apr 2015
First published
12 May 2015

Med. Chem. Commun., 2015,6, 1104-1116
Article type
Concise Article
Author version available

1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking study

M. H. Shaikh, D. D. Subhedar, L. Nawale, D. Sarkar, F. A. Kalam Khan, J. N. Sangshetti and B. B. Shingate, Med. Chem. Commun., 2015, 6, 1104
DOI: 10.1039/C5MD00057B

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