Synthesis, In Vitro Antimicrobial Evaluation, ADMET Properties, and Molecular Docking Studies of Novel Thiazole Derivatives

Abstract

A series of novel ethyl (Z)-2-cyano-3-[(4-methyl-5-{2-[(Z)-1-arylethylidene]hydrazine-1-carbonyl}-thiazol-2-yl)amino]-3-(methylthio)acrylate derivatives was synthesized through four step method. The process generates novel thiazole derivatives in good yield, using low-cost, readily available chemicals with simple reaction conditions. Antimicrobial screening of desired synthesized molecules was tested against various bacteria and fungi. It was discovered that among all tested molecules, methoxy derivative and nitro derivatives exhibited a good activ-ity against E. coli, P. aeruginosa and chloro, hydroxy, and nitro derivatives exhibited an excellent activity against A. niger, A. clavatus. Molecular docking study of synthesized molecules was performed on E. coli dihydropteroate synthase using the Auto Dock technique. An analysis of their physicochemical and pharmacokinetic properties related to ADMET was also carried out