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

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

  • ACS Omega. 2021 Sep 13;6(38):24879-24890. doi: 10.1021/acsomega.1c03734.
Ashruba B Danne 1,  Mukund V Deshpande 2,  Jaiprakash N Sangshetti 3,  Vijay M Khedkar 4,  Bapurao B Shingate 1
Affiliations

Affiliations

  • 1 Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad 431 004, Maharashtra, India.
  • 2 Biochemical Sciences Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, Maharashtra, India.
  • 3 Y. B. Chavan College of Pharmacy, Dr. Rafiq Zakaria Campus, Aurangabad 431001, Maharashtra, India.
  • 4 School of Pharmacy, Vishwakarma University, Pune 411048, Maharashtra, India.
PMID: 34604669 DOI: 10.1021/acsomega.1c03734
Abstract

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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