Jiao Chen¹, Yifang Liu¹, Mi Fang¹, Hui Chen¹, Xingzhen Lao¹, Xiangdong Gao¹, Heng Zheng^1,, Wenbing Yao¹

Metallo-β-lactamases can hydrolyze a broad range of β-lactam antibiotics and no effective inhibitors could be used in the clinic. Therefore, the discovery of metallo-β-lactamase inhibitors has attracted much attention in recent years. In this study, a support vector machine (SVM) that separates compounds into positives and negatives, combined with docking method was employed for virtual screening of IMP-1 metallo-β-lactamase inhibitors. Eight of the twenty five selected compounds were purchased for in vitro assays. Among them, four compounds show inhibitory potency against IMP-1. Two of them are found to have novel scaffolds, implying a good potential for further optimization.

IMP-1 metallo-β-lactamase inhibitors, support vector machine, docking, virtual screening, in vitro assays