@article{ajbr2013148,
author={{Chen, Jiao and Liu, Yifang and Fang, Mi and Chen, Hui and Lao, Xingzhen and Gao, Xiangdong and Zheng, Heng and Yao, Wenbing},
title={Combined Support-Vector-Machine-Based Virtual Screening and Docking Method for the Discovery of IMP-1 Metallo-¦Â-Lactamase Inhibitors Supplementary Data},
journal={American Journal of Biomedical Research},
volume={1},
number={4},
pages={120--131},
year={2013},
url={http://pubs.sciepub.com/ajbr/1/4/8},
issn={2328-3955},
abstract={Metallo-¦Â-lactamases can hydrolyze a broad range of ¦Â-lactam antibiotics and no effective inhibitors could be used in the clinic. Therefore, the discovery of metallo-¦Â-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-¦Â-lactamase inhibitors. Eight of the twenty five selected compounds were purchased for <i>in vitro</i> 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.},
doi={10.12691/ajbr-1-4-8}
publisher={Science and Education Publishing}
}