Molecular insights into the inhibitory mechanisms of gallate moiety on the Aβ1–40 amyloid aggregation: A molecular dynamics simulation study
Rongzu Nie, Yinqiang Huo, Bo Yu, Liu Chuan-ju, Rui Zhou, Hong-hui Bao, Shang‐wen Tang
Topics & Concepts
MoietyChemistryMolecular dynamicsMonomerGallateFibrilGallic acidIn silicoAmyloid (mycology)PolyphenolBiophysicsMoleculeEpigallocatechin gallateStereochemistryBiochemistryComputational chemistryOrganic chemistryBiologyAntioxidantNuclear chemistryPolymerGeneInorganic chemistryAlzheimer's disease research and treatmentsComputational Drug Discovery MethodsDrug Transport and Resistance Mechanisms