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Network pharmacology-based virtual screening of the
active ingredients and potential targets from Crataegus
pinnatifda against Parkinson’s disease
Jie Wang, Peng Zhao, Xiaoxiao Huang, Shaojiang Song
2018 (4):
135-142.
摘要
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Parkinson’s disease (PD), as a common neurodegenerative disorder, has brought a heavy economic burden to healthcare
system around the world. However, currently there is still lack of effective treatment for PD patients. In this study, we used a
docking weighted network pharmacological approach to understand the therapeutic potentiality of C. pinnatifda against PD.
Six compounds, namely huangnin A (SMO-13), leptolepisol D (SMO-12), 7',8'-threo-7R,8R-1-[4-[(2-hydroxy-2-(4-hydroxyl-3-
methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-1,2,3-propanetriol (SMO-4), huangnin B (SMO-14), Crataegusnin
A (SMO-1) and erythro-(7S,8R)-guaiacyl-glycerol-β-O-4'-dihydroconiferyl ether (SMO-26) were predicted to have potential
binding therapeutics for PD target proteins, and Myeloperoxidase (5mfa), Alpha-synuclein (3q27), 5-hydroxytryptamine receptor
1B (4iar) and Glycogen synthase kinase-3 beta (1o6l) were found to be the most potential target proteins in terms of docking
weighted network pharmacological analysis. We expect that our approach using docking weighted network pharmacological
could be applied to predict the pharmacological effectiveness of C. pinnatifda against PD.
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