https://orcid.org/0000-0001-7598-5973
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Abstract
In this paper, the synthesis of novel pyrazoles and their in vitro anti-inflammatory and in-vitro antifungal assay have been reported. These compounds were docked into the inducible nitric oxide synthase (iNOS) oxygenase dimer. The compounds 3c, 7a, 7c, 8a, 8c have exhibited the C-score values more than the standard drug aminoguanidine (5.35). Upon the favorable docking results, the anti-inflammatory potential of the title compounds was determined by analyzing the reduction in the NO production by activated macrophages using in-vitro assays. The compounds 4c, 5c, 6a, 6c, 7a, 8a, 8c exhibited the potential anti-inflammatory activity at 1.00 µg/mL. Further, the docking study of the title compounds 3b, 3c, 4a, 5a, 5c with Aspergillus fumigatus N-myristoyl transferase (NMT) showed appreciable C-score values as against that of fluconazole (5.56). This observation was further substantiated by in-vitro antifungal activity in which the compounds 3b–c, 4a–c, 5a–c, 6a–c, 7a–b, 9a–c have excellent inhibition against A. fumigatus.
Graphical Abstract
Acknowledgments
The authors wish to thank the DST, Govt of India New Delhi for providing grants under DST-PURSE Phase II and DST-SAIF to Karnatak University Dharwad. The authors acknowledge the University Scientific Instrumentation Centre (USIC), Karnatak University, Dharwad, NMR Research Centre, Indian Institute of Science (IISc), Bengaluru, India for carrying out the spectral analyses.