Computational study on the inhibition mechanism of cyclodextran against GTF-SI from Streptococcus mutans focusing on the glucan-binding domain

Computational study on the inhibition mechanism of cyclodextran against GTF-SI from Streptococcus mutans focusing on the glucan-binding domain

Glucosyltransferases (GTFs) from Streptococcus mutans (S. mutans) are enzymes that synthesize glucan, a polymer that forms a biofilm causing dental caries. Cyclodextran (CI), which contains a ring structure formed from D-glucose by α-1,6 glycoside linkage, has been reported to strongly inhibit GTFs....

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Bibliographic Details
Main Authors: Wataru Imamura, Tomohiro Yamasaki, Hikaru Kato, Takeshi Ishikawa
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Carbohydrate Polymer Technologies and Applications
Subjects:
Cyclodextran
Cyclodextrin
Glucosyltransferases
Streptococcus mutans
Molecular dynamics simulation
Density functional theory
Online Access:http://www.sciencedirect.com/science/article/pii/S2666893924000537

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http://www.sciencedirect.com/science/article/pii/S2666893924000537

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