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首页> 外文期刊>Bioorganic and medicinal chemistry >Pyrazole clubbed triazolo1,5-apyrimidine hybrids as an anti-tubercular agents: Synthesis, in vitro screening and molecular docking study
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Pyrazole clubbed triazolo1,5-apyrimidine hybrids as an anti-tubercular agents: Synthesis, in vitro screening and molecular docking study

机译：Pyrazole clubbed triazolo1,5-apyrimidine hybrids as an anti-tubercular agents: Synthesis, in vitro screening and molecular docking study

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摘要

A series of novel pyrazole linked triazolo-pyrimidine hybrids were synthesized and evaluated for their anti-tuberculosis activity against M.tb H37Rv strain. Some of the screened entities rendered promising anti-tb activity (MIC: 0.39 mu g/mL) and were found non toxic against Vero cells (IC50: >= 20 mu g/mL). Further, the docking study against wild type InhA enzyme of Mycobacterium tuberculosis using Glide reproduced the most active inhibitors (J21 and J27) with lowest binding energies and highest Glide XP scores demonstrating efficient binding to the active pocket. Additionally, the enzyme inhibition assay and ADME prediction of the active proved to be an attest to the possibility of developing compound J27 as a potent anti-tubercular lead. (c) 2015 Elsevier Ltd. All rights reserved.

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