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Article

Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.

Scientific reports - 20 Jul 2017

Zhang Qiong, Nijampatnam Bhavitavya, Hua Zhang, Nguyen Thao, Zou Jing, Cai Xia, Michalek Suzanne M, Velu Sadanandan E, Wu Hui

Abstract excerpt

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...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 28729722
DOI: 10.1038/s41598-017-06168-1
PMCID: PMC5519559

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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