Click chemistry inspired syntheses of new amide linked 1,2,3-triazoles from naphthols: biological evaluation and in silico computational study

In search of new active molecules, a small focused library of new 1,2,3-triazoles derived from naphthols were efficiently prepared via the click chemistry approach. The synthesized triazole derivatives were evaluated for their antifungal, antioxidant and antitubercular activities. Furthermore, to rationalize the observed biological activity data, the molecular docking study has also been carried out against the active site of cytochrome P450 lanosterol 14 alpha-demethylase of C. albicans to understand the binding affinity and binding interactions of enzyme and synthesized derivatives, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and In Silico study suggest that the 1,2,3-triazole derivatives may possess the ideal structural requirements for the further development of novel therapeutic agents.

Automated summary

A small library of 1,2,3-triazole derivatives derived from naphthols has been efficiently synthesized through the click chemistry approach for the search of new active molecules. The synthesized compounds were evaluated for their antifungal, antioxidant, and antitubercular activities. Furthermore, a molecular docking study was conducted to understand the binding affinity and interactions between the enzyme and the synthesized derivatives, revealing a significant correlation between the binding score and biological activity of these compounds. The results suggest that the 1,2,3-triazole derivatives may serve as potential candidates for the development of novel therapeutic agents.