A QSAR Study on Antimicrobial Activity of Some New Sulfonylhydrazinothiazoles

A quantitative structure-activity relationship QSAR study on antimicrobial activity of a series of newly synthesized sulfonylhydrazinothiazoles was performed by using the Free-Wilson and autocorrelating partial charges approaches. Several models were developed using stepwise multiple linear regression analysis and the results were further validated by leave-one-out method. They showed the most important contributors at the antimicrobial activity of sulfonylhydrazinothiazoles are the substituents on 4 and 5 position at the thiazole ring. Also, the main feature describing the activity of these compounds is a partial charge-based descriptor, a measure of the molecular electronic properties, used within an auto-correlation weighting scheme. MATCH Communications in Mathematical and in Computer Chemistry MATCH Commun. Math. Comput. Chem. 60 (2008) 985-996