An Efficient Synthesis, Antimicrobial Evaluation and In Silico Studies of 1,2,3‐Triazolyl‐isoxazolyl‐ethanol Derivatives

Abstract

AbstractA series of 2‐(1‐substituted benzyl‐1H‐1,2,3‐triazol‐4‐yl)‐1‐(5‐arylisoxazol‐3‐yl)ethanol (8 a–p) have been designed and efficiently synthesized. The structure of the compounds 8 a–p was characterized by spectral methods. The newly synthesized 1,2,3‐triazolyl‐isoxazolyl‐ethanol (8 a–p) derivatives were evaluated for in vitro antimicrobial activity against P. mirabilis, E. coli, S. albus, B. subtilis, C. albicans and A. niger. Eleven derivatives showed good activity against the Gram‐negative strains. Compounds 8 b, 8 c, 8 d, 8 g, 8 h, 8 i, 8 j, 8 k, 8 n, 8 o, and 8 p showed good antibacterial against E. coli activity. Against P. mirabilis, compounds 8 a, 8 b, 8 d, 8 g, 8 h, 8 k, 8 l, 8 m, 8 n, 8 o, and 8 p showed good activity, compounds 8 o, and 8 p showed two‐fold less activity than the reference drug streptomycin. Against the Gram‐positive strain, B. subtilis, compounds 8 c, 8 d and 8 f showed good activity, from which the compounds 8 d and 8 f were found only two‐fold less potent than the reference drug streptomycin. Against fungal strains, C. albicans, compound 8 g and against A. niger, compounds 8 f, 8 h and 8 j showed good antifungal activity. Against A. niger strain, the compounds 8 f and 8 h reported only two‐fold less activity than the reference drug fluconazole. The active compounds were studied for molecular docking and molecular dynamics simulations.