Development of isoxazole tethered 1,2,3-triazoles and sulphonamide derivatives as potent anti-bacterial and anti-cancer agents.

This study addresses the design and development of novel isoxazole molecules tethered with triazole and sulphonamide derivatives to elucidate their pharmacological response for antibacterial and anticancer activities. The ionic liquid mediated protocol garners the respective derivatives tolerating an array of functionalised and substituted molecular hybrids. Antimicrobial exploration performed against six bacterial strains with antibiotic associated resistance mechanisms, identified five scaffold that exhibited significant inhibitory activity. The sulphonamide-isoxazole moiety demonstrated cross-species effectiveness encompassing both the resistant and non-resistant bacterial strains. ScXRD provides the exact molecular conformation and regioselective formation of 3,5-disubstituted isoxazole-sulphonamide hybrid. The heterocyclic conjugates also elicit a concentration- and time-dependent reduction in hepatocellular carcinoma cell (HepG2) with pronounced cell death observed for triazole hybrids bearing chloro substituents. The binding affinities of these compounds with the microbial protein targets and their interactions with Heat Shock Protein 90 (Hsp90) for the cancer cell line probed by the docking studies corroborates with the experimental findings.