Abstract
A library of seventeen novel 1,2,3-triazole derivatives were efficiently synthesized in excellent yields by the popular 'click chemistry' approach and evaluated in vitro for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177 strain). Among the series, six compounds exhibited significant activity with minimum inhibitory concentration (MIC) values ranging from 3.12 to 0.78μg/mL and along with no significant cytotoxicity against MBMDMQs (mouse bone marrow derived macrophages). Molecular docking of the target compounds into the active site of DprE1 (Decaprenylphosphoryl-β-d-ribose-2'-epimerase) enzyme revealed noteworthy information on the plausible binding interactions.
Keywords:
1,2,3-Triazoles; Antimycobacterial activity; Cytotoxicity; Molecular docking; Tuberculosis.
Copyright © 2017 Elsevier Ltd. All rights reserved.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Alcohol Oxidoreductases / antagonists & inhibitors
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Alcohol Oxidoreductases / metabolism
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Animals
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Antitubercular Agents / chemical synthesis*
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Antitubercular Agents / pharmacology*
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Antitubercular Agents / toxicity
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Bacterial Proteins / antagonists & inhibitors
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Bacterial Proteins / metabolism
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Binding Sites
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Bone Marrow Cells / cytology
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Catalytic Domain
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Click Chemistry
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Macrophages / cytology
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Macrophages / drug effects
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Macrophages / metabolism
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Mice
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Molecular Docking Simulation
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Mycobacterium tuberculosis / drug effects*
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Mycobacterium tuberculosis / enzymology
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Structure-Activity Relationship
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Thermodynamics
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Triazoles / chemistry*
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Triazoles / pharmacology*
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Triazoles / toxicity
Substances
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Antitubercular Agents
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Bacterial Proteins
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Triazoles
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Alcohol Oxidoreductases
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DprE1 protein, Mycobacterium tuberculosis