Molecular insights into antibiofilm inhibitors of Streptococcus mutans glucosyltransferases through in silico approaches

Molecular insights into antibiofilm inhibitors of Streptococcus mutans glucosyltransferases through in silico approaches

Abstract Streptococcus mutans, a primary cariogenic bacterium, plays a central role in dental caries, one of the most widespread chronic diseases globally. Glucosyltransferases (GTFs) are key virulence factors in this process, as they synthesize extracellular polysaccharides that contribute to biofi...

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Bibliographic Details
Main Authors: Lubna Atta, Ali Raza Siddiqui, Mamona Mushtaq, Sajida Munsif, Mohammad Nur-e-Alam, Aftab Ahmed, Zaheer Ul-Haq
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Subjects:
Streptococcus mutans
Dental caries
Density functional theory
Free energy landscape
Molecular dynamic simulation
Online Access:https://doi.org/10.1038/s41598-025-98927-8
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https://doi.org/10.1038/s41598-025-98927-8

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