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A Component Formula of Chinese Medicine for Hypercholesterolemia Based on Virtual Screening and Biology Network
Joint Authors
Qiao, Liansheng
Li, Gongyu
Zhang, Yanling
Lu, Fang
Huo, Xiaoqian
Source
Evidence-Based Complementary and Alternative Medicine
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-06-28
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
Hypercholesterolemia is a risk factor to atherosclerosis and coronary heart disease II.
The abnormal rise of cholesterol in plasma is the main symptom.
Cholesterol synthesis pathway is an important pathway of the origin of cholesterol, which is an essential pathway for the therapy of hypercholesterolemia.
The 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase), squalene synthase (SQS), and sterol regulatory element binding protein-2 (SREBP-2) are closely connected with the synthesis of cholesterol.
The inhibition of these targets can reduce the cholesterol in plasma.
This study aimed to build a component formula including three Traditional Chinese Medicines (TCM) components with the inhibition activity of these targets by using virtual screening and biological network.
Structure-based pharmacophore models of HMG-CoA reductase and SQS and ligand-based pharmacophore model of SREBP-2 were constructed to screen the Traditional Chinese Medicine Database (TCMD).
Molecular docking was used for further screening of components of HMG-CoA reductase and SQS.
Then, metabolic network was constructed to elucidate the comprehensive interaction of three targets for lipid metabolism.
Finally, three potential active compounds were obtained, which are poncimarin, hexahydrocurcumin, and forsythoside C.
The source plants of the compounds were also taken into account, which should have known action of lowering hyperlipidemia.
The lipid-lowering effect of hexahydrocurcumin was verified by experiment in vitro.
The components that originated from TCMs with lipid-lowering efficacy made up a formula with a synergistic effect through the computer aid drug design methods.
The research provides a fast and efficient method to build TCM component formula and it may inspire the study of the explanation of TCM formula mechanism.
American Psychological Association (APA)
Huo, Xiaoqian& Lu, Fang& Qiao, Liansheng& Li, Gongyu& Zhang, Yanling. 2018. A Component Formula of Chinese Medicine for Hypercholesterolemia Based on Virtual Screening and Biology Network. Evidence-Based Complementary and Alternative Medicine،Vol. 2018, no. 2018, pp.1-11.
https://search.emarefa.net/detail/BIM-1154484
Modern Language Association (MLA)
Huo, Xiaoqian…[et al.]. A Component Formula of Chinese Medicine for Hypercholesterolemia Based on Virtual Screening and Biology Network. Evidence-Based Complementary and Alternative Medicine No. 2018 (2018), pp.1-11.
https://search.emarefa.net/detail/BIM-1154484
American Medical Association (AMA)
Huo, Xiaoqian& Lu, Fang& Qiao, Liansheng& Li, Gongyu& Zhang, Yanling. A Component Formula of Chinese Medicine for Hypercholesterolemia Based on Virtual Screening and Biology Network. Evidence-Based Complementary and Alternative Medicine. 2018. Vol. 2018, no. 2018, pp.1-11.
https://search.emarefa.net/detail/BIM-1154484
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1154484