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Design, Docking, and Synthesis of Quinoline‐2H‐1,2,4‐triazol‐3(4H)‐ones as Potent Anticancer and Antitubercular Agents
ChemistrySelect ( IF 1.9 ) Pub Date : 2018-02-20 , DOI: 10.1002/slct.201702279
Shilpa M. Somagond 1 , Ravindra R. Kamble 1 , Pramod P. Kattimani 1 , Saba Kauser J. Shaikh 1 , Sheshagiri R. Dixit 2 , Shrinivas D. Joshi 2 , Hirihalli C. Devarajegowda 3
Affiliation  

A new series quinoline‐2H‐1,2,4‐triazol‐3(4H)‐ones 7 g‐n and 11 g‐n were designed and synthesized. Docking studies of title compounds with DNA (PDB: 1AU5) and with long‐chain enoyl‐acyl carrier protein reductase (InhA) enzyme (PDB ID: 4TZK) as anticancer and antitubercular targets showed good insights on the possible interactions. Further, the compounds were tested for in vitro anticancer activity against HeLa human cervix tumor cell line and also in vitro antitubercular activity against M. tuberculosis H37Rv [MTB] (ATCC‐27294). Some of the compounds exhibited promising activities in both the protocols. Hence, these compounds may be considered as pharmacological lead molecules of interest.

中文翻译:

设计,对接和合成喹啉2H-1、2,4-三唑-3(4H)作为有效的抗癌药和抗结核药

设计并合成了新的喹啉2 H -1、1,2,4三唑3(4 H)系列7 g-n11 g-n。标题化合物与DNA(PDB:1AU5)和长链烯酰基-酰基载体蛋白还原酶(InhA)酶(PDB ID:4TZK)的对接研究作为抗癌和抗结核靶标显示了对可能的相互作用的深刻见解。此外,还测试了这些化合物对HeLa人宫颈肿瘤细胞系的体外抗癌活性,以及​​对结核分枝杆菌H37Rv [MTB](ATCC-27294)的体外抗结核活性。在两种方案中,某些化合物均显示出有希望的活性。因此,这些化合物可以被认为是感兴趣的药理学先导分子。
更新日期:2018-02-20
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