Pharmacological Chaperone Design for Reducing Risk Factor of Parkinson’s Disease from Traditional Chinese Medicine
作者： Hung-Jin Huang , Cheng-Chun Lee , Calvin Yu-Chian Chen
DOI: 10.1155/2014/830490
关键词:
摘要: Dysfunction of β-glucocerebrosidase (GCase) has no hydrolytic activity in patients Gaucher's disease and increasing the risk factor for Parkinson's occurrence. Pharmacological chaperone design been used to treat with misfolded protein related disease, which utilized a small compound cause folding correctly. This study employed world largest traditional Chinese medicine (TCM) database searching potential lead as pharmacological chaperone, we also performed molecular dynamics (MD) simulations observe stability binding conformation between ligands active site GCase structure. The docking results from screening show that N-methylmescaline shihunine have high ability than tetrahydroxyazepanes. From MD simulation analysis, tetrahydroxyazepanes displayed opportunity ligand migration instead our TCM candidates, H-bonds number was decreased end snapshot. Our result indicated remains stable during simulation, demonstrating two candidates are suitable might be
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