Indole-chalcone linked 1,2,3-triazole hybrids: Facile synthesis, antimicrobial evaluation and docking studies as potential antimicrobial agents

The design and synthesis of a new series of indole-chalcone linked 1,2,3-triazole hybrids via Cu(I)catalyzed azide-alkyne cycloaddition is reported. All the compounds ( 2, 4a-4e and 6a-6j) were well characterized by different analytical and spectral methods and screened in vitro for antimicrobial evaluation against Gram-positive bacteria, Gram-negative bacteria and fungal strains. Most of the synthesized hybrids showed significant potency with MIC values from 10.9 mu M to 39.4 mu M against bacterial strains. Antifungal data revealed that compound 6a with MIC of 6.3 mu M was found to be most effective against R. oryzae. Docking simulations of the compounds 2, 4b and 6b were performed with of E. coli DNA gyrase, while molecule 6g along with 4b and 2 was docked into active sites of C. albicans alpha lanosterol demethylase.(c) 2022 Elsevier B.V. All rights reserved.