Network pharmacology-based virtual screening of the
active ingredients and potential targets from Crataegus
pinnatifda against Parkinson’s disease

亚洲传统医药

• Regular Article • 下一篇

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*

Department of Natural Products Chemistry, Key Laboratory of Structure-Based Drug Design and Discovery, Ministry of Education, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, PR China

收稿日期:2017-11-27 修回日期:2018-01-11 出版日期:2018-08-20 发布日期:2018-01-11

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*

Department of Natural Products Chemistry, Key Laboratory of Structure-Based Drug Design and Discovery, Ministry of Education, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, PR China

Received:2017-11-27 Revised:2018-01-11 Online:2018-08-20 Published:2018-01-11
Contact: School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, 103 Wenhua Rd., Shenyang 110016, China; Tel.: +86-24-23986510 (Xiaoxiao Huang); E-mail: xiaoxiao270@163.com (Xiaoxiao Huang); School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, 103 Wenhua Rd., Shenyang 110016, China; Tel.: +86-24-23986510 (Shaojiang Song); E-mail: songsj99@163.com (Shaojiang Song)

摘要/Abstract

摘要： 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.

关键词: Parkinson’s disease, Crataegus pinnatifda, network pharmacology

Abstract: 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.

Key words: Parkinson’s disease, Crataegus pinnatifda, network pharmacology

Jie Wang, Peng Zhao, Xiaoxiao Huang, Shaojiang Song. Network pharmacology-based virtual screening of the active ingredients and potential targets from Crataegus pinnatifda against Parkinson’s disease[J]. 亚洲传统医药.

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Network pharmacology-based virtual screening of the active ingredients and potential targets from Crataegus pinnatifda against Parkinson’s disease

Network pharmacology-based virtual screening of the active ingredients and potential targets from Crataegus pinnatifda against Parkinson’s disease

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