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A network pharmacology-based study on the quality control markers of antithrombotic herbs: Using Salvia miltiorrhiza - Ligusticum chuanxiong as an example
Zhang, Dai Yan1; Peng, Ruo Qian1; Wang, Xu5; Zuo, Hua Li3,4; Lyu, Li Yang1; Yang, Feng Qing5; Hu, Yuan Jia1,2
2022-06-28
Source PublicationJournal of Ethnopharmacology
ISSN0378-8741
Volume292
Abstract

Ethnopharmacological relevance: Salvia miltiorrhiza (Danshen, DS), the dried root and rhizome of Salvia miltiorrhiza Bunge and Ligusticum chuanxiong (Chuanxiong, CX), the dried rhizomes of Ligusticum striatum DC are effective in invigorating blood circulation and eliminating stasis which is highly related with cardiovascular disease (CVD). Aim of study: The identification of activity-based chemical markers is very important, but the complex mechanism of “multi-component, multi-target, and multi-effect” within traditional Chinese medicine (TCM) poses a great challenge to this work. In this study, we combined network pharmacological prediction with experimental validation of the DS and CX to explore an effective method for discovering quality control (QC) of antithrombotic herbs by clarifying the intermediate layer “module/cluster” between the whole complex system and a single component. Materials and methods: Based on structural similarity analysis of compound and the thrombosis network published before, we firstly modularized two layers called chemical cluster (CC) network and functional module (FM) network respectively and linked them into one bilayer modularized compound target (BMCT) network. “Two-step” calculation was applied on identifying the significant compounds as the potential QC markers from CC. The in vitro inhibitory activity of selected QC marker compounds on thrombin was evaluated to partially verify their pharmacological activities. HPLC was used to determine contents. Results: According to the network-based analysis, nine compounds with great importance in the BMCT network were identified as QC markers of DS-CX, including tanshinone I, tanshinone IIA, cryptotanshinone, salvianolic acid B, ferulic acid, salvianolic acid A, rosmarinic acid, chlorogenic acid, and coniferyl ferulate. Enzyme inhibitory test partially verified the activity of tanshinone I and tanshinone IIA. Chemical profiling indicated that the nine marker compounds are the main components in the herbal pair. Conclusions: This study identified activity-based QC markers of DS-CX herbal pair and provided a new methodology that can be used in the QC of other herbs, herbal pairs, or formulas.

KeywordBilayer Network Chlorogenic ACid (Pubchem Cid: 1794427) And Coniferyl Ferulate (Pubchem Cid: 6441913) Cryptotanshinone (Pubchem Cid: 160254) Ferulic ACid (Pubchem Cid: 445858) Ligusticum Chuanxiong Network Pharmacology Quality Control Markers Rosmarinic ACid (Pubchem Cid: 5281792) Salvia Miltiorrhiza Salvianolic ACid a (Pubchem Cid: 5281793) Salvianolic ACid b (Pubchem Cid: 11629084) Tanshinone i (Pubchem Cid: 114917) Tanshinone Iia (Pubchem Cid: 164676)
DOI10.1016/j.jep.2022.115197
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaPlant Sciences ; Pharmacology & Pharmacy ; Integrative & Complementary Medicine
WOS SubjectPlant Sciences ; Chemistry, Medicinal ; Integrative & Complementary Medicine ; Pharmacology & Pharmacy
WOS IDWOS:000793124100001
Scopus ID2-s2.0-85126905106
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Cited Times [WOS]:0   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorYang, Feng Qing; Hu, Yuan Jia
Affiliation1.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macao SAR, 999078, Macao
2.DPM, Faculty of Health Sciences, University of Macau, Macao SAR, 999078, Macao
3.School of Life and Health Sciences, The Chinese University of Hong Kong, Shenzhen, Shenzhen, 518172, China
4.Warshel Institute for Computational Biology, The Chinese University of Hong Kong, Shenzhen, Shenzhen, 518172, China
5.School of Chemistry and Chemical Engineering, Chongqing University, Chongqing, 401331, China
First Author AffilicationInstitute of Chinese Medical Sciences
Corresponding Author AffilicationInstitute of Chinese Medical Sciences;  Faculty of Health Sciences
Recommended Citation
GB/T 7714
Zhang, Dai Yan,Peng, Ruo Qian,Wang, Xu,et al. A network pharmacology-based study on the quality control markers of antithrombotic herbs: Using Salvia miltiorrhiza - Ligusticum chuanxiong as an example[J]. Journal of Ethnopharmacology,2022,292.
APA Zhang, Dai Yan,Peng, Ruo Qian,Wang, Xu,Zuo, Hua Li,Lyu, Li Yang,Yang, Feng Qing,&Hu, Yuan Jia.(2022).A network pharmacology-based study on the quality control markers of antithrombotic herbs: Using Salvia miltiorrhiza - Ligusticum chuanxiong as an example.Journal of Ethnopharmacology,292.
MLA Zhang, Dai Yan,et al."A network pharmacology-based study on the quality control markers of antithrombotic herbs: Using Salvia miltiorrhiza - Ligusticum chuanxiong as an example".Journal of Ethnopharmacology 292(2022).
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