健康与医学信息学杂志

QSAR Studies of 3, 4-dihydropyrimidin-2(1H)-one Urea Derivatives as Antibacterial and Antifungal activity

Abstract

Mukesh C. Sharma*

The present study is aimed to elucidate the structural features of novel 3,4-dihydropyrimidin-2(1H)-one urea derivatives required for antibacterial and antifungal activity and to obtain predictive models to guide the rational synthesis of novel activity. The significant best 2D QSAR model (S.aureus) having correlation coefficient r2 = 0.7854 and crossvalidated squared correlation coefficient q2 = 0.7563 with external predictive ability of pred_r2 = 0.7629 was developed. The main aimed to obtain predictive models which may guide the synthesis of more active antimicrobial agents.