Pharmacological chaperone design for reducing risk factor of Parkinson's disease from traditional chinese medicine.

ABSTRACT: Dysfunction of β -glucocerebrosidase (GCase) has no hydrolytic activity in patients of Gaucher's disease and increasing the risk factor for Parkinson's disease occurrence. Pharmacological chaperone design has been used to treat with misfolded protein in related disease, which utilized a small compound to cause protein folding correctly. This study employed the world largest traditional Chinese medicine (TCM) database for searching for potential lead compound as pharmacological chaperone, and we also performed molecular dynamics (MD) simulations to observe the stability of binding conformation between ligands and active site of GCase structure. The docking results from database screening show that N-methylmescaline and shihunine have high binding ability to GCase than tetrahydroxyazepanes.

SUBMITTER: Huang HJ 

PROVIDER: S-EPMC3914314 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature