Identification of Catechins’ Binding Sites in Monomeric A<i>β</i><sub>42</sub> through Ensemble Docking and MD Simulations

Identification of Catechins’ Binding Sites in Monomeric A<i>β</i><sub>42</sub> through Ensemble Docking and MD Simulations

The assembly of the amyloid-<i>β</i> peptide (A<i>β</i>) into toxic oligomers and fibrils is associated with Alzheimer’s disease and dementia. Therefore, disrupting amyloid assembly by direct targeting of the A<i>β</i> monomeric form with small molecules or antibo...

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Bibliographic Details
Main Authors: Rohoullah Firouzi, Shahin Sowlati-Hashjin, Cecilia Chávez-García, Mitra Ashouri, Mohammad Hossein Karimi-Jafari, Mikko Karttunen
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:International Journal of Molecular Sciences
Subjects:
catechins
amyloid-<i>β</i>
binding sites
ensemble docking
MD simulations
Online Access:https://www.mdpi.com/1422-0067/24/9/8161

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