Synthesis and Biological Evaluation of 1,2,3-Triazole Appended Benzothiazinone Derivatives via Click Chemistry

被引:0
|
作者
Akolkar, Satish V. [1 ]
Shaikh, Mubarak H. [1 ,2 ]
Nagargoje, Amol A. [1 ,3 ]
Sangshetti, Jaiprakash N. [4 ]
Damale, Manoj G. [4 ]
Shingate, Bapurao B. [1 ]
机构
[1] Dr Babasaheb Ambedkar Marathwada Univ, Dept Chem, Aurangabad 431004, Maharashtra, India
[2] Radhabai Kale Mahila Mahavidyalaya, Dept Chem, Ahmednagar 414001, Maharashtra, India
[3] Khopoli Municipal Council Coll Arts Sci & Commerce, Dept Chem, Raigad 410203, Maharashtra, India
[4] YB Chavan Coll Pharm, Dept Chem, Rafiq Zakaria Campus, Aurangabad 431001, Maharashtra, India
关键词
1,2,3-Triazoles; benzothiazinone; antifungal activity; molecular docking; ADME; rifampicin; 1,4-BENZOTHIAZINE DERIVATIVES; MOLECULAR DOCKING; ANALOGS; DESIGN; DISCOVERY;
D O I
10.2174/0113852728316869240626060258
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
We have created novel 1,2,3-triazole-based benzothiazinone derivatives in the current work. The produced compounds' in vitro antioxidant, antifungal, and antitubercular properties were assessed. Moreover, a simulated molecular docking analysis was conducted on the cytochrome P450 lanosterol 14 alpha-demethylase active site to elucidate the enzyme's binding affinity and interactions with synthesised benzothiazinone derivatives. A notable correlation between these compounds' antifungal activity and binding score was indicated by molecular docking data. The synthetic 1,2,3-triazole-based benzothiazinone derivatives may satisfy the structural criteria for creating novel antifungal drugs, according to the results of the in vitro and in silico investigations.
引用
收藏
页码:1621 / 1630
页数:10
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