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Design, Synthesis and Molecular Docking Studies of Novel Triazole‐Chromene Conjugates as Antitubercular, Antioxidant and Antifungal Agents
ChemistrySelect ( IF 2.1 ) Pub Date : 2018-12-07 , DOI: 10.1002/slct.201801859
Smita P. Khare 1 , Tejshri R. Deshmukh 1 , Jaiprakash N. Sangshetti 2 , Vagolu S. Krishna 3 , Dharmarajan Sriram 3 , Vijay M. Khedkar 4 , Bapurao B. Shingate 1
Affiliation  

A green and efficient protocol has been developed for the synthesis of novel 1,2,3‐triazole‐chromene conjugates (7 a‐j) via ultrasound assisted and NaHCO3 catalyzed for the first time. Structures of all the new conjugates were deduced by various spectroscopic techniques. The newly synthesized triazole‐chromene conjugates were evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Rv strain. The conjugates 7 f and 7 h were found to be most active with MIC value 12.5 μg/mL. Furthermore, all the conjugates were screened for their antioxidant activity and are highly active (IC50=7.05‐14 μg/mL) than the reference drug BHT (16.47 μg/mL). The triazole‐chromene conjugates were also screened for their in vitro antifungal activity and some of the conjugates 7 a, 7 b, 7 d, 7 e, 7 f and 7 i were exhibited potent activity (MIC=6.25‐25 μg/mL) than the reference drug Miconazole. Docking studies showed significant binding affinity in the active site of Mycobacterium tuberculosis DprE1 enzyme.

中文翻译:

新型三唑-Chromene共轭物的抗结核,抗氧化剂和抗真菌剂的设计,合成和分子对接研究

已开发出一种绿色高效的方案,用于通过超声辅助和首次催化的NaHCO 3合成新型1,2,3-三唑-色烯共轭物(7 a-j)。所有新缀合物的结构均通过各种光谱技术推论得出。评价了新合成的三唑-烯缀合物对结核分枝杆菌(MTB)H37Rv菌株的体外抗结核活性。发现缀合物7f7h最具活性,MIC值为12.5μg/ mL。此外,对所有缀合物的抗氧化活性进行了筛选,并具有很高的活性(IC 50= 7.5-1-14μg/ mL)比参考药物BHT(16.47μg/ mL)高。还筛选了三唑-色烯结合物的体外抗真菌活性,其中一些结合物7a7b7 d7 e7 f7 i表现出强效活性(MIC = 6.25-25μg/ mL)比参考药物咪康唑。对接研究显示在结核分枝杆菌DprE1酶的活性位点具有显着的结合亲和力。
更新日期:2018-12-07
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