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New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking

[Image: see text] The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Crypto...

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Autores principales: Danne, Ashruba B., Deshpande, Mukund V., Sangshetti, Jaiprakash N., Khedkar, Vijay M., Shingate, Bapurao B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8482464/
https://www.ncbi.nlm.nih.gov/pubmed/34604669
http://dx.doi.org/10.1021/acsomega.1c03734
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author Danne, Ashruba B.
Deshpande, Mukund V.
Sangshetti, Jaiprakash N.
Khedkar, Vijay M.
Shingate, Bapurao B.
author_facet Danne, Ashruba B.
Deshpande, Mukund V.
Sangshetti, Jaiprakash N.
Khedkar, Vijay M.
Shingate, Bapurao B.
author_sort Danne, Ashruba B.
collection PubMed
description [Image: see text] The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14α-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data.
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spelling pubmed-84824642021-10-01 New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking Danne, Ashruba B. Deshpande, Mukund V. Sangshetti, Jaiprakash N. Khedkar, Vijay M. Shingate, Bapurao B. ACS Omega [Image: see text] The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14α-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data. American Chemical Society 2021-09-13 /pmc/articles/PMC8482464/ /pubmed/34604669 http://dx.doi.org/10.1021/acsomega.1c03734 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Danne, Ashruba B.
Deshpande, Mukund V.
Sangshetti, Jaiprakash N.
Khedkar, Vijay M.
Shingate, Bapurao B.
New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
title New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
title_full New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
title_fullStr New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
title_full_unstemmed New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
title_short New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking
title_sort new 1,2,3-triazole-appended bis-pyrazoles: synthesis, bioevaluation, and molecular docking
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8482464/
https://www.ncbi.nlm.nih.gov/pubmed/34604669
http://dx.doi.org/10.1021/acsomega.1c03734
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