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    Please use this identifier to cite or link to this item: http://asiair.asia.edu.tw/ir/handle/310904400/79607


    Title: Pharmacological Chaperone Design for Reducing Risk Factor of Parkinson's Disease from Traditional Chinese Medicine
    Authors: Hua, Hung-Jin;Huang, Hung-Jin;Cheng-Chun, L;Lee, Cheng-Chun;陳語謙;Chen, Calvin Yu-chian
    Contributors: 生物科技學系
    Date: 2014-01
    Issue Date: 2014-06-04 02:24:52 (UTC+0)
    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. From MD simulation analysis, tetrahydroxyazepanes displayed high opportunity of ligand migration instead of our TCM candidates, and H-bonds number was decreased in the end of MD snapshot. Our result indicated that binding conformation of N-methylmescaline and shihunine remains stable during MD simulation, demonstrating that the two candidates are suitable for GCase binding and might be potential as pharmacological chaperone for GCase folding correctly.
    Relation: Evidence-based Complementary and Alternative Medicine
    Appears in Collections:[Department of Biotechnology] Journal Article

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