Selective Inhibition of HDAC1 by Macrocyclic Polypeptide for the Treatment of Glioblastoma: A Binding Mechanistic Analysis Based on Molecular Dynamics

Selective Inhibition of HDAC1 by Macrocyclic Polypeptide for the Treatment of Glioblastoma: A Binding Mechanistic Analysis Based on Molecular Dynamics

Glioblastoma (GBM) is the most common and aggressive intracranial malignant brain tumor, and the abnormal expression of HDAC1 is closely correlated to the progression, recurrence and metastasis of GBM cells, making selective inhibition of HDAC1 a promising strategy for GBM treatments. Among all avai...

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Bibliographic Details
Main Authors: Yang Zhang, Tingting Fu, Yuxiang Ren, Fengcheng Li, Guoxun Zheng, Jiajun Hong, Xiaojun Yao, Weiwei Xue, Feng Zhu
Format: Article
Language:English
Published: Frontiers Media S.A. 2020-03-01
Series:Frontiers in Molecular Biosciences
Subjects:
HDAC
macrocyclic peptides
molecular docking
MD simulation
binding free energies
interaction fingerprints
Online Access:https://www.frontiersin.org/article/10.3389/fmolb.2020.00041/full

Internet

https://www.frontiersin.org/article/10.3389/fmolb.2020.00041/full

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