Design, synthesis and characterization of new fused pyrazole systems: In Vitro anti-bacterial, anti-fungal, antioxidant evaluation, In Silico DFT and molecular docking studies

Faculty Science Year: 2025
Type of Publication: ZU Hosted Pages:
Authors:
Journal: Journal of Molecular Structure Elsevier Volume:
Keywords : Design, synthesis , characterization , , fused pyrazole systems:    
Abstract:
This research investigates the synthesis, characterization, and biological assessment of new heterocyclic derivatives generated from pyrazole frameworks, with the goal of determining their antibacterial and antioxidant capabilities. Numerous processes, including as cyclocondensation, oxidative cyclization, and functional group transformations, are used in the synthetic approach to produce a variety of derivatives with distinctive structural characteristics. Important compounds like furopyrazole (6) shown strong antioxidant capacity (87.6 % ABTS inhibition), almost matching ascorbic acid, and remarkable antifungal activity against Candida albicans (15.6 mm/mg) and Aspergillus flavus (7.8 mm/mg). Compound 8 showed balanced performance because of its nitrile functionality, but compound 9 showed strong antibacterial and antioxidant activities. Functional groups like thiourea, nitrile, and aromatic rings are essential …
    
     
 
       

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