Abstract
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 14α-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.
Current Organic Chemistry
Title:Synthesis and Biological Evaluation of 1,2,3-Triazole Appended Benzothiazinone Derivatives via Click Chemistry
Volume: 28 Issue: 20
Author(s): Satish V. Akolkar, Mubarak H. Shaikh, Amol A. Nagargoje, Jaiprakash N. Sangshetti, Manoj G. Damale and Bapurao B. Shingate*
Affiliation:
- Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, 431004, Maharashtra, India
Abstract: 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 14α-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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Akolkar V. Satish, Shaikh H. Mubarak, Nagargoje A. Amol, Sangshetti N. Jaiprakash, Damale G. Manoj and Shingate B. Bapurao*, Synthesis and Biological Evaluation of 1,2,3-Triazole Appended Benzothiazinone Derivatives via Click Chemistry, Current Organic Chemistry 2024; 28 (20) . https://dx.doi.org/10.2174/0113852728316869240626060258
DOI https://dx.doi.org/10.2174/0113852728316869240626060258 |
Print ISSN 1385-2728 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5348 |
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