Evidence map›Paper›PMID 40241120›Full record

ArticleJournal of cardiothoracic surgery2025

Network pharmacology-based prediction and molecular docking-based strategy to investigate the potential mechanism of Leonurus japonicus Houtt. Against myocardial ischemia reperfusion injury.

Xuan Liu, Zilian Zhan, Rui Zhang, Yadong Wang, Qiang Xu

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Article in Journal of cardiothoracic surgery, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

5 authors.

Xuan LiuDepartment of Cardiology, The Second Affiliated Hospital of Tianjin University of TCM, No. 69, Zengchan Road, Hebei District, Tianjin, 300150, China.
Zilian ZhanDepartment of Cardiology, The Second Affiliated Hospital of Tianjin University of TCM, No. 69, Zengchan Road, Hebei District, Tianjin, 300150, China.
Rui ZhangDepartment of Cardiology, The Second Affiliated Hospital of Tianjin University of TCM, No. 69, Zengchan Road, Hebei District, Tianjin, 300150, China.
Yadong WangDepartment of Cardiology, The Second Affiliated Hospital of Tianjin University of TCM, No. 69, Zengchan Road, Hebei District, Tianjin, 300150, China.
Qiang XuDepartment of Cardiology, The Second Affiliated Hospital of Tianjin University of TCM, No. 69, Zengchan Road, Hebei District, Tianjin, 300150, China. qiangxu753@163.com.

Funding

National Natural Science Foundation project 82374195
6 · The paper itself

Abstract

backgroundLeonurus japonicus Houtt. (LJH) has multiple pharmacological effects.

objectiveTo investigate the potential mechanism of LJH in the treatment of myocardial ischemia-reperfusion injury (MIRI) using network pharmacology, molecular docking technology, and in vitro experiments.

methodsHerbs for ischemic heart disease were identified with the help of herb-disease databases. The TCMSP database was used to find the potential targets of LJH. Disease targets of MIRI were identified with the help of Disgenet, Genecard, Alliance of Genome Resources databases. The common targets were obtained with the help of VENN diagram, and the common targets were analyzed by GO function and KEEG pathway enrichment to predict the potential mechanism of action of LJH in treating MIRI. With the help of STRING database and Cytoscape software, we constructed a visual protein-protein interaction (PPI) network model to screen the core targets and then docked the core targets with the corresponding ligand molecules. AC16 cells were used to simulate MIRI by glucose-oxygen deprivation, and apoptosis was detected by Annexin V-FITC/PI double staining; protein expression was detected by Western blot.

resultsLJH was one of the herbal remedies for the treatment of ischemic heart disease. LJH had 247 potential targets of action and 26 targets in common with MIRI. These 26 targets were enriched in the TNF signaling pathway and NF-kappa B signaling pathway, and the core targets screened by the PPI results included TNF, VCAM1, and MMP9. Molecular docking results showed that the compounds in LJH docked well with the core target proteins. In vitro experiments showed that LJH could inhibit the elevation of TNF, VCAM1, and MMP9 after MIRI, reduce apoptosis, and inhibit inflammation.

conclusionThe mechanism of LJH in the treatment of MIRI was mainly related to the activation of TNF signaling pathway and NF-kappa B signaling pathway, and the regulation of TNF, VCAM1, and MMP9 protein expression.

Indexed as

Drugs, Chinese HerbalLeonurusMolecular Docking SimulationMyocardial Reperfusion InjuryNetwork PharmacologyAnimalsApoptosisHumansSignal TransductionDrugs, Chinese HerbalLeonurus japonicus Houtt.Myocardial ischemia-reperfusion injuryNF-κBTNF-α

Identifiers

PMID40241120
PMCPMC12001406

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.