Science and Education Publishing American Journal of Biomedical Research 2328-3955 1 4 2013 11 15 Combined Support-Vector-Machine-Based Virtual Screening and Docking Method for the Discovery of IMP-1 Metallo-β-Lactamase Inhibitors Supplementary Data 120 131 EN Jiao Chen Yifang Liu Mi Fang Hui Chen Xingzhen Lao Xiangdong Gao Heng Zheng School of Life Science and Technology, China Pharmaceutical University, Nanjing, P.R. China Wenbing Yao School of Life Science and Technology, China Pharmaceutical University, Nanjing, P.R. China AJBR2013148 10.12691/ajbr-1-4-8 2013 11 07 2013 11 13 2013 11 15 Metallo-¦-lactamases can hydrolyze a broad range of ¦-lactam antibiotics and no effective inhibitors could be used in the clinic. Therefore, the discovery of metallo-¦-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-¦-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.