Computational Studies on the Potency and Selectivity of PUGNAc Derivatives Against GH3, GH20, and GH84 β-N-acetyl-D-hexosaminidases

Computational Studies on the Potency and Selectivity of PUGNAc Derivatives Against GH3, GH20, and GH84 β-N-acetyl-D-hexosaminidases

β-N-acetyl-D-hexosaminidases have attracted significant attention due to their crucial role in diverse physiological functions including antibacterial synergists, pathogen defense, virus infection, lysosomal storage, and protein glycosylation. In particular, the GH3 β-N-acetyl-D-hexosaminidase of V....

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Bibliographic Details
Main Authors: Lili Dong, Shengqiang Shen, Yefei Xu, Leng Wang, Ruirui Feng, Jianjun Zhang, Huizhe Lu
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-04-01
Series:Frontiers in Chemistry
Subjects:
PUGNAc derivatives
β-N-acetyl-D-hexosaminidases
selectivities
molecular docking
molecular dynamics simulations
binding free energy
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00235/full

Internet

https://www.frontiersin.org/article/10.3389/fchem.2019.00235/full

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