Synthesis and binary QSAR study of antitubercular quinolylhydrazides |
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Authors: | Atul Manvar Vijay Khedkar Jignesh Patel Vipul Vora Narsinh Dodia Gautam Patel Evans Coutinho Anamik Shah |
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Affiliation: | 1. National Facility for Drug Discovery, Department of Chemistry, Saurashtra University, Rajkot 360005, Gujarat, India;2. HDH Pharma Inc., Morrisville, NC 27560, USA;3. Department of Pharmaceutical Chemistry, Bombay College of Pharmacy, Kalina, Santacruz (E), Mumbai 400098, India |
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Abstract: | In continuation with our previous work in anti-TB research area, in the present study we have demonstrated the structural diversity of quinolylhydrazides as potent anti-tuberculars. The compound library was synthesized by molecular hybridization approach and tested in vitro against Mycobacterium tuberculosis H37Rv strains. Among the designed conjugates, the most promising molecules were found to exhibit 100% Growth Inhibition (GI) at MIC <6.25 μg/mL. Moreover, several analogs in the designed series were also turned out as excellent anti-tuberculars. To probe the structural characteristics influencing on the SAR, the classification model was generated using a binary QSAR approach termed recursive partitioning (RP) analysis. The significant features outlined by the RP model act as a guide in order to design the ‘lead’ compound. |
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Keywords: | Quinolones Hydrazides MABA Binary QSAR |
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