Ultrasound assisted rapid synthesis, biological evaluation, and molecular docking study of new 1,2,3-triazolyl pyrano[2,3-c]pyrazoles as antifungal and antioxidant agent

Abstract

In search of new generation of triazole based antifungal agents, synthesis of series of new 1,2,3-triazolyl pyrano[2,3-c]pyrazoles under ultrasonic irradiation using NaHCO3 has been reported. The bioevaluation results indicate that, the compounds 7c, 7d, 7e, 7f, and 7i displayed excellent antifungal activity with lower MIC ≤ 25 µg/mL. Most of the compounds from the series showed potent antioxidant activity with a lower IC50 value in the range 09.39 ± 0.42–14.97 ± 0.24 µg/mL, in comparison to butylated hydroxyl toluene (BHT). Molecular docking studies against potential target sterol 14α-demethylase (CYP51) was also performed and showed excellent binding affinity with the target enzyme. Moreover, in silico ADME study shows that the derivatives could serve as drug like molecules for further drug development in clinical research.