We describe the synthesis of novel triazole-incorporated diindolylmethanes (DIMs) using a molecular hybridization approach. The antitubercular activity of the DIMs against H37Ra (ATCC 25177) was tested in the active and dormant state. Among all the synthesized conjugates, the compounds ,, ,, ,, and displayed good antitubercular activity against both the active and dormant H37Ra strain. The compound exhibited good antitubercular activity against dormant H37Ra with an IC value of 1 μg mL and IC (MIC) value of 3 μg mL. The compounds ,, and displayed good antitubercular activity against active H37Ra with IC values of 2.19, 1.52, and 0.22 μg mL, respectively. The compounds ,, , and displayed more than 70% inhibition against the Gram-positive strain at 3 μg mL. The molecular docking study showed the binding modes of the titled compounds in the active site of the DprE1 enzyme and assisted with elucidating a structural basis for the inhibition of .

No 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.

No abstract