Exploring the mechanism of Crocus sativus and Rosa rugosa for the treatment of coronary heart disease based on network pharmacology and molecular docking

摘要/Abstract

摘要： Abstract Coronary atherosclerotic heart disease (CHD) is the main type of cardiovascular disease. The efficacy of Uyghur
drug compound Saffron formula in CHD has been clinically proven. However, the underlying mechanism remains unclear.
In this study, researchers investigated the active ingredients and mechanism of action of Crocus sativus and Rosa rugosa in
the treatment of CHD by network pharmacology and molecular docking techniques, collected target information with the
help of TCMSP, GEO, GeneCards, and other databases, constructed protein-protein interaction (PPI) network diagrams by
STRING database, performed GO and KEGG pathway enrichment analysis on common targets, and finally molecularly
docked the active ingredients with core targets. C. sativus-R. rugosa have a variety of polyphenol compounds, a total of 12
active ingredients, including quercetin and kaempferol, were screened. The first three targets intersected with the core targets
of CHD as AKT1, TNF, and IL-1B. Enrichment results of KEGG pathway showed that C. sativus-R. rugosa against CHD
involved atherosclerosis pathways. The molecular docking results showed that quercetin and kaempferol were well bound to
the core targets, and it was speculated that these components might be the main active ingredients for the treatment of CHD.
The potential mechanism of action of C. sativus-R. rugosa for the treatment of coronary heart disease was initially revealed.

关键词: coronary heart disease, Crocus sativus, molecular docking, network pharmacology, polyphenol, Rosa rugosa

Abstract: Abstract Coronary atherosclerotic heart disease (CHD) is the main type of cardiovascular disease. The efficacy of Uyghur
drug compound Saffron formula in CHD has been clinically proven. However, the underlying mechanism remains unclear.
In this study, researchers investigated the active ingredients and mechanism of action of Crocus sativus and Rosa rugosa in
the treatment of CHD by network pharmacology and molecular docking techniques, collected target information with the
help of TCMSP, GEO, GeneCards, and other databases, constructed protein-protein interaction (PPI) network diagrams by
STRING database, performed GO and KEGG pathway enrichment analysis on common targets, and finally molecularly
docked the active ingredients with core targets. C. sativus-R. rugosa have a variety of polyphenol compounds, a total of 12
active ingredients, including quercetin and kaempferol, were screened. The first three targets intersected with the core targets
of CHD as AKT1, TNF, and IL-1B. Enrichment results of KEGG pathway showed that C. sativus-R. rugosa against CHD
involved atherosclerosis pathways. The molecular docking results showed that quercetin and kaempferol were well bound to
the core targets, and it was speculated that these components might be the main active ingredients for the treatment of CHD.
The potential mechanism of action of C. sativus-R. rugosa for the treatment of coronary heart disease was initially revealed.

Key words: coronary heart disease; Crocus sativus, molecular docking, network pharmacology, polyphenol; Rosa rugosa

Aijinxiu Ma, Zihan Hou, Ming Yang, Xu Zhao. Exploring the mechanism of Crocus sativus and Rosa rugosa for the treatment of coronary heart disease based on network pharmacology and molecular docking[J]. 多酚, 2024, 6(1): 20-32.

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