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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.
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页码:1621 / 1630
页数:10
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