Pancholia, Sahaj ; Dhameliya, Tejas M. ; Shah, Parth ; Jadhavar, Pradeep S. ; Sridevi, Jonnalagadda Padma ; Yogeshwari, Perumal ; Sriram, Dharmarajan ; Chakraborti, Asit K. (2016) Benzo[d]thiazol-2-yl(piperazin-1-yl)methanones as new anti-mycobacterial chemotypes: design, synthesis, biological evaluation and 3D-QSAR studies European Journal of Medicinal Chemistry, 116 . pp. 187-199. ISSN 0223-5234
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.ejmech.2016.03.060
Abstract
The benzo[d]thiazol-2-yl(piperazin-1-yl)methanones scaffold has been identified as new anti-mycobacterial chemotypes. Thirty-six structurally diverse benzo[d]thiazole-2-carboxamides have been prepared and subjected to assessment of their potential anti-tubercular activity through in vitro testing against Mycobacterium tuberculosis H37Rv strain and evaluation of cytotoxicity against RAW 264.7 cell lines. Seventeen compounds showed anti-mycobacterial potential having MICs in the low (1–10) μM range. The 5-trifluoromethyl benzo[d]thiazol-2-yl(piperazin-1-yl)methanones emerged to be the most promising resulting in six positive hits (2.35–7.94 μM) and showed low-cytotoxicity (<50% inhibition at 50 μg/mL). The therapeutic index of these hits is 8–64. The quantitative structure activity relationship has been established adopting a statistically reliable CoMFA model showing high prediction (r2pred=0.718, r2ncv=0.995).
Item Type: | Article |
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Source: | Copyright of this article belongs to Elsevier Science. |
Keywords: | Tuberculosis; Benzo[d]thiazole-2-Carboxamides; New Antibacterial Chemotypes; Anti-Mycobacterial Activity; COMFA; 3D-QSAR |
ID Code: | 100238 |
Deposited On: | 12 Feb 2018 12:56 |
Last Modified: | 12 Feb 2018 12:56 |
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