Evidence map›Paper›PMID 32863859›Full record

ArticleChinese medicine2020

Development of simultaneous interaction prediction approach (SiPA) for the expansion of interaction network of traditional Chinese medicine.

Mengjie Rui, Hui Pang, Wei Ji, Siqi Wang, Xuefei Yu, Lilong Wang, Chunlai Feng

Abstract read
In one paragraph

Article in Chinese medicine, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed
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1 citing paper in PubMed.

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5 · Who and what money

Authors and funding

7 authors.

Mengjie RuiSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.
Hui PangSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.
Wei JiSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.
Siqi WangSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.
Xuefei YuSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.
Lilong WangSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.
Chunlai FengSchool of Pharmacy, Jiangsu University, Zhenjiang, 212013 People's Republic of China.ORCID 0000-0002-9628-1331

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

backgroundDue to the lack of enough interaction data among compositions, targets and diseases, it is difficult to construct a complete network of Traditional Chinese Medicine (TCM) that comprehensively reflects active compositions and their synergistic network in terms of specific diseases. Therefore, mapping of the full spectrum of interaction between compounds and their targets is of central importance when we use network pharmacology approach to explore the therapeutic potential of the TCM.

methodsTo address this challenge, we developed a large-scale simultaneous interaction prediction approach (SiPA) integrated one interaction network based simple inference model (SIM), focusing on 'logical relevance' between compounds, proteins or diseases, and another compound-target correlation space based interaction prediction model (CTCS-IPM) that was built on the basis of the canonical correlation analysis (CCA) to estimate the position of compounds (or targets) in compound-protein correlated space. Then SiPA was applied to discover reliable multiple interactions for interaction network expansion of a TCM, compound

resultsAs evaluated with known test dataset, the established combination approach was proved to make highly accurate prediction, showing a well prediction performance for the SIM and a high recall rate of 85.2% for the CTCS-IPM. Then 710 pairs of new compound-target interactions, 24 pairs of new compound-cardiovascular disease interactions and 294 pairs of new cardiovascular disease-protein interactions were predicted for compound

conclusionsWe provided a practical and efficient way for large-scale inference of multiple interactions of TCM ingredients, which was not limited by the lack of negative samples, sample size and target 3D structures. SiPA could help researchers more accurately prioritize the effective compounds and more completely explore network synergy of TCM for treating specific diseases, indicating a potential way for effectively identifying candidate compound (or target) in drug discovery.

Indexed as

Canonical correlation analysisCompound-target correlation space based interaction prediction modelInteraction predictionNetwork pharmacologySimple inference modelTraditional Chinese medicine

Identifiers

PMID32863859
PMCPMC7448979

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