<p>Endometrial polyps (EP) are a common benign hyperplastic disease in gynecology, characterized by high postoperative recurrence rates. As a classic herb pair, the molecular mechanism of <i>Prunus mume</i> (Wumei) and <i>Prunella vulgaris</i> (Xiakucao) in intervening against EP has not been systematically elucidated. This study aimed to predict the potential active ingredients, core targets, and key pathways of the <i>Prunus mume-Prunella vulgaris</i> herb pair for the treatment of EP based on network pharmacology and molecular docking technology, thus providing a theoretical basis for multi-target therapeutic strategies against EP. Active ingredients of <i>Prunus mume-Prunella vulgaris</i> and their protein targets were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform database. Corresponding gene names were obtained from the UniProt database. EP-related to EP were retrieved from the GeneCards and Online Mendelian Inheritance in Man databases. The intersection between the herb pair’s target genes and EP-related genes was identified, visualized with a Venn diagram, yielding 12 key target proteins. A protein–protein interaction network was constructed for these key targets to identify the core components and core targets. R software was employed for Gene Ontology functional and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses of the core targets. Molecular docking was performed to validate the binding between key active ingredients and core targets. Network pharmacology identified quercetin, kaempferol, β-sitosterol, and luteolin as primary active ingredients. Core targets included peroxisome proliferator activated receptor gamma (PPARG), Ak strain transforming 1 (AKT1), prostaglandin-endoperoxide synthase 2 (PTGS2), and caspase 8 (CASP8), etc., were identified as core targets. Molecular docking results demonstrated strong binding affinity between key active ingredients and the core targets. Enrichment analysis indicated that the tumor necrosis factor signaling pathway and the tumor protein p53 signaling pathway are likely core pathways for the herb pair’s intervention in EP. Based on network pharmacology and molecular docking predictions, the <i>Prunus mume-Prunella vulgaris</i> herb pair may intervene in EP by regulating key proteins such as PPARG, AKT1, PTGS2, and CASP8, thereby modulating biological processes including inflammation, apoptosis, and metabolism. The findings provide directions for further in vivo and in vitro experimental validation. Future wet-lab experiments are required to confirm its actual mechanism and efficacy.</p>

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Exploring the potential mechanisms of the Prunus mume-Prunella vulgaris herb pair in treating endometrial polyps based on network pharmacology and molecular docking

  • Wen Yan Zhang,
  • Yuan Yuan,
  • Li Fan,
  • Guang Rong Huang,
  • Shu Yu Pan,
  • Jing Xiao

摘要

Endometrial polyps (EP) are a common benign hyperplastic disease in gynecology, characterized by high postoperative recurrence rates. As a classic herb pair, the molecular mechanism of Prunus mume (Wumei) and Prunella vulgaris (Xiakucao) in intervening against EP has not been systematically elucidated. This study aimed to predict the potential active ingredients, core targets, and key pathways of the Prunus mume-Prunella vulgaris herb pair for the treatment of EP based on network pharmacology and molecular docking technology, thus providing a theoretical basis for multi-target therapeutic strategies against EP. Active ingredients of Prunus mume-Prunella vulgaris and their protein targets were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform database. Corresponding gene names were obtained from the UniProt database. EP-related to EP were retrieved from the GeneCards and Online Mendelian Inheritance in Man databases. The intersection between the herb pair’s target genes and EP-related genes was identified, visualized with a Venn diagram, yielding 12 key target proteins. A protein–protein interaction network was constructed for these key targets to identify the core components and core targets. R software was employed for Gene Ontology functional and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses of the core targets. Molecular docking was performed to validate the binding between key active ingredients and core targets. Network pharmacology identified quercetin, kaempferol, β-sitosterol, and luteolin as primary active ingredients. Core targets included peroxisome proliferator activated receptor gamma (PPARG), Ak strain transforming 1 (AKT1), prostaglandin-endoperoxide synthase 2 (PTGS2), and caspase 8 (CASP8), etc., were identified as core targets. Molecular docking results demonstrated strong binding affinity between key active ingredients and the core targets. Enrichment analysis indicated that the tumor necrosis factor signaling pathway and the tumor protein p53 signaling pathway are likely core pathways for the herb pair’s intervention in EP. Based on network pharmacology and molecular docking predictions, the Prunus mume-Prunella vulgaris herb pair may intervene in EP by regulating key proteins such as PPARG, AKT1, PTGS2, and CASP8, thereby modulating biological processes including inflammation, apoptosis, and metabolism. The findings provide directions for further in vivo and in vitro experimental validation. Future wet-lab experiments are required to confirm its actual mechanism and efficacy.