Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking
Objective: To explore the mechanism of Miao Medicine Xinnao Liantong Capsule (XNLTC) in treating myocardial ischemia (MI) using network pharmacology and molecular docking techniques. Methods: Active components of XNLTC were screened from the TCMSP, TCMBANK, and HERB databases, followed by target pre...
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Elsevier
2025-06-01
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| Series: | Pharmacological Research - Modern Chinese Medicine |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667142525000582 |
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| author | Yuan Yao Huan Zhang Na Zhan Yong Deng Jianyong Zhang |
| author_facet | Yuan Yao Huan Zhang Na Zhan Yong Deng Jianyong Zhang |
| author_sort | Yuan Yao |
| collection | DOAJ |
| description | Objective: To explore the mechanism of Miao Medicine Xinnao Liantong Capsule (XNLTC) in treating myocardial ischemia (MI) using network pharmacology and molecular docking techniques. Methods: Active components of XNLTC were screened from the TCMSP, TCMBANK, and HERB databases, followed by target prediction using SwissTargetPrediction. MI-related targets were obtained from the GEO, GeneCards, and OMIM databases. A ''herb-active components-intersection targets'' network was constructed, and protein-protein interaction analyses were performed using Cytoscape and STRING. Functional enrichment analyses were performed using DAVID, and molecular docking was employed to validate core component-target interactions. Results: Network analysis revealed 282 bioactive components in XNLTC interacting with 1,131 targets and 3,232 MI-related targets. Seven core components (quercetin, eleutheroside B, rutin, puerarin, polydatin, salvianolic acid B, and scutellarin) and six key targets (AKT1, SRC, STAT3, MAPK1, and MAPK3) were identified. Pathway analysis demonstrated significant modulation of lipid metabolism and atherosclerosis, apoptosis, as well as fluid shear stress and atherosclerosis signaling pathways. All binding energies were less than −5.0 kcal/mol, confirming stable molecular interactions. Conclusions: XNLTC exerts therapeutic effects against MI by modulating key pathways, including lipid metabolism and atherosclerosis, apoptosis, and fluid shear stress and atherosclerosis. These findings validate its clinical potential and provide mechanistic insights into the applications of traditional medicine. |
| format | Article |
| id | doaj-art-e0651c40e0fd43a992f2eaf7f85c1f69 |
| institution | DOAJ |
| issn | 2667-1425 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Pharmacological Research - Modern Chinese Medicine |
| spelling | doaj-art-e0651c40e0fd43a992f2eaf7f85c1f692025-08-20T03:20:58ZengElsevierPharmacological Research - Modern Chinese Medicine2667-14252025-06-011510062910.1016/j.prmcm.2025.100629Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular dockingYuan Yao0Huan Zhang1Na Zhan2Yong Deng3Jianyong Zhang4School of Pharmacy and Key Laboratory of Basic Pharmacology Ministry Education, Joint International Research Laboratory of Ethnomedicine Ministry of Education, Zunyi Medical University, No.6 West Xuefu Road, Zunyi 563000, ChinaSchool of Pharmacy and Key Laboratory of Basic Pharmacology Ministry Education, Joint International Research Laboratory of Ethnomedicine Ministry of Education, Zunyi Medical University, No.6 West Xuefu Road, Zunyi 563000, ChinaThe Sixth Affiliated Hospital, Harbin Medical University, Harbin 150076, ChinaSchool of Pharmacy and Key Laboratory of Basic Pharmacology Ministry Education, Joint International Research Laboratory of Ethnomedicine Ministry of Education, Zunyi Medical University, No.6 West Xuefu Road, Zunyi 563000, China; Corresponding authors.School of Pharmacy and Key Laboratory of Basic Pharmacology Ministry Education, Joint International Research Laboratory of Ethnomedicine Ministry of Education, Zunyi Medical University, No.6 West Xuefu Road, Zunyi 563000, China; Corresponding authors.Objective: To explore the mechanism of Miao Medicine Xinnao Liantong Capsule (XNLTC) in treating myocardial ischemia (MI) using network pharmacology and molecular docking techniques. Methods: Active components of XNLTC were screened from the TCMSP, TCMBANK, and HERB databases, followed by target prediction using SwissTargetPrediction. MI-related targets were obtained from the GEO, GeneCards, and OMIM databases. A ''herb-active components-intersection targets'' network was constructed, and protein-protein interaction analyses were performed using Cytoscape and STRING. Functional enrichment analyses were performed using DAVID, and molecular docking was employed to validate core component-target interactions. Results: Network analysis revealed 282 bioactive components in XNLTC interacting with 1,131 targets and 3,232 MI-related targets. Seven core components (quercetin, eleutheroside B, rutin, puerarin, polydatin, salvianolic acid B, and scutellarin) and six key targets (AKT1, SRC, STAT3, MAPK1, and MAPK3) were identified. Pathway analysis demonstrated significant modulation of lipid metabolism and atherosclerosis, apoptosis, as well as fluid shear stress and atherosclerosis signaling pathways. All binding energies were less than −5.0 kcal/mol, confirming stable molecular interactions. Conclusions: XNLTC exerts therapeutic effects against MI by modulating key pathways, including lipid metabolism and atherosclerosis, apoptosis, and fluid shear stress and atherosclerosis. These findings validate its clinical potential and provide mechanistic insights into the applications of traditional medicine.http://www.sciencedirect.com/science/article/pii/S2667142525000582Xinnao Liantong capsuleMyocardial ischemiaNetwork pharmacologyMolecular dockingMechanism of action |
| spellingShingle | Yuan Yao Huan Zhang Na Zhan Yong Deng Jianyong Zhang Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking Pharmacological Research - Modern Chinese Medicine Xinnao Liantong capsule Myocardial ischemia Network pharmacology Molecular docking Mechanism of action |
| title | Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking |
| title_full | Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking |
| title_fullStr | Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking |
| title_full_unstemmed | Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking |
| title_short | Study on mechanism of Miao medicine Xinnao Liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking |
| title_sort | study on mechanism of miao medicine xinnao liantong capsule in treatment of myocardial ischemia diseases based on network pharmacology and molecular docking |
| topic | Xinnao Liantong capsule Myocardial ischemia Network pharmacology Molecular docking Mechanism of action |
| url | http://www.sciencedirect.com/science/article/pii/S2667142525000582 |
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