Ontology highlight
ABSTRACT:
SUBMITTER: Zhang Q
PROVIDER: S-EPMC5519559 | biostudies-literature | 2017 Jul
REPOSITORIES: biostudies-literature
Zhang Qiong Q Nijampatnam Bhavitavya B Hua Zhang Z Nguyen Thao T Zou Jing J Cai Xia X Michalek Suzanne M SM Velu Sadanandan E SE Wu Hui H
Scientific reports 20170720 1
Streptococcus mutans employs a key virulence factor, three glucosyltransferase (GtfBCD) enzymes to establish cariogenic biofilms. Therefore, the inhibition of GtfBCD would provide anti-virulence therapeutics. Here a small molecule library of 500,000 small molecule compounds was screened in silico against the available crystal structure of the GtfC catalytic domain. Based on the predicted binding affinities and drug-like properties, small molecules were selected and evaluated for their ability to ...[more]