Seeking potent anti-tubercular agents: Design, synthesis, anti-tubercular activity and docking study of various ((triazoles/indole)-piperazin-1-yl/1,4-diazepan-1-yl)benzo[d]isoxazole derivatives
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- 作者：Kalaga Mahalakshmi Naidua ; Singireddi Srinivasaraoa ; Napió ; rkowska Agnieszkab ; Augustynowicz-Kopeć Ewab ; Muthyala Murali Krishna Kumarc ; Kondapalli Venkata Gowri Chandra Sekhara ; kvgc@hyderabad.bits-pilani.ac.in" class="auth_mail" title="E-mail the corresponding author ; kvgcs@yahoo.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Benzo[d]isoxazole ; Piperazine ; Homopiperazine ; Indole ; Triazole ; Mycobacterium tuberculosis ; Anti-tubercular agents
- 刊名：Bioorganic & Medicinal Chemistry Letters
- 出版年：2016
- 出版时间：1 May 2016
- 年：2016
- 卷：26
- 期：9
- 页码：2245-2250
- 全文大小：1210 K
文摘
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38 novel benzo[d]isoxazoles were synthesised and evaluated for anti-TB activity.
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4 analogues (MIC < 30 μM) exhibited very good anti-TB activity against 3 MTB strains.
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In vitro cytotoxicity studies of the most active compounds were analysed.
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All compounds docking scores displayed in between −7.1 and −10.7 kcal/mol.
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Compound 7j was docking with mycobacterial PS enzyme (4MQ6.pdb).