Pharmacological Chaperone Design for Reducing Risk Factor of Parkinson’s Disease from Traditional Chinese Medicine
Joint Authors
Lee, Cheng-Chun
Chen, Calvin Yu-Chian
Huang, Hung-Jin
Source
Evidence-Based Complementary and Alternative Medicine
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-12, 12 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-01-19
Country of Publication
Egypt
No. of Pages
12
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Huang, Hung-Jin& Lee, Cheng-Chun& Chen, Calvin Yu-Chian. 2014. Pharmacological Chaperone Design for Reducing Risk Factor of Parkinson’s Disease from Traditional Chinese Medicine. Evidence-Based Complementary and Alternative Medicine،Vol. 2014, no. 2014, pp.1-12.
https://search.emarefa.net/detail/BIM-1020298
Modern Language Association (MLA)
Huang, Hung-Jin…[et al.]. Pharmacological Chaperone Design for Reducing Risk Factor of Parkinson’s Disease from Traditional Chinese Medicine. Evidence-Based Complementary and Alternative Medicine No. 2014 (2014), pp.1-12.
https://search.emarefa.net/detail/BIM-1020298
American Medical Association (AMA)
Huang, Hung-Jin& Lee, Cheng-Chun& Chen, Calvin Yu-Chian. Pharmacological Chaperone Design for Reducing Risk Factor of Parkinson’s Disease from Traditional Chinese Medicine. Evidence-Based Complementary and Alternative Medicine. 2014. Vol. 2014, no. 2014, pp.1-12.
https://search.emarefa.net/detail/BIM-1020298
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1020298