Network Pharmacology Prediction and Experimental Verification of Rhubarb-Peach Kernel Promoting Apoptosis in Endometriosis

Zi Liao, Ya Lei, Peng Li, Xianyun Fu, Wei Wang, Dan Yang
In: Research Square · 2023 · doi:10.21203/rs.3.rs-2720763/v1 · W4362678536
preprint OA: green CC0
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⚙ AI-generated summary by claude@2026-06, 2026-06-08 ⓘ

Network pharmacology predicted and molecular docking confirmed that Rhubarb-Peach Kernel promotes apoptosis in endometriosis cells by regulating P53, BAX, and CASP3.

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⚙ AI-generated deep summary by claude@2026-06, 2026-06-10 ⓘ

The preprint investigates whether the traditional Chinese “Rhubarb–Peach Kernel” herb pair (RP) can exert anti-endometriosis effects by promoting apoptosis, using a network pharmacology workflow followed by computational docking and in vitro testing. The authors screened RP ingredients and predicted targets using TCMSP, BATMAN-TCM, and GeneCards, built a STRING protein–protein interaction network, performed KEGG enrichment, and docked main active components to apoptosis-related targets; they then verified RP’s pro-apoptotic effects in hEM15a endometriosis cells using MTT and flow cytometry. They report 32 compounds and 42 targets, with 18 hub targets (including P53 and CASP3), enrichment for apoptosis regulation, docking support for anthraquinones, flavonoids, and triterpenoids, and increased apoptosis alongside inhibited proliferation with altered apoptosis-related proteins (P53, BAX, CASP3). A major caveat is that findings are presented as a preprint (not peer reviewed) and the experimental verification is limited to a cell model. This paper is centrally about endometriosis — it predicts and experimentally tests RP’s apoptosis-promoting anti-endometriosis mechanism.

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Abstract

Abstract Background " Rhubarb-Peach Kernel " herb pair (RP) one of the most frequently used drug pairs, has been used in traditional medicine in China to treat inflammation and diseases associated with pain. Although it is widely used clinically and has a remarkable curative effect, the mechanism of RP treatment for endometriosis (EMs) remains unclear due to its complicated components. The aim of this study was to investigate the anti-endometriosis effect of RP, with emphasis on apoptosis via network pharmacology prediction, molecular docking and experimental verification. Methods The related ingredients and targets of RP in treating EMs were screened out using Traditional Chinese Medicine Systems Pharmacology (TCMSP), Tool for Molecular mechanism of Traditional Chinese Medicine (BATMAN-TCM), and GeneCards database. The data of the protein-protein interaction (PPI) network was obtained by the Search Tool for the Retrieval of Interaction Gene/Proteins (STRING) Database. The Metascape database was adopt for Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis. After that, the molecular docking of the main active ingredients and apoptosis targets was performed. Finally, the pro-apoptotic effect of RP was verified in hEM15a cells. Results A total of 32 RP compounds were collected. Forty-two matching targets were picked out as the correlative targets of RP in treating EMs. Among these, 18 hub targets including P53, CASP3 were recognized by the PPI network. KEGG enrichment analysis discovered that the regulation of apoptosis was one of the potential mechanisms of RP against EMs. Anthraquinone compounds, flavonoids, and triterpenes in RP were identified as crucial active ingredients, involved in the pro-apoptotic effect, which was confirmed subsequently by molecular docking. Additionally, it was verified that RP treatment promoted apoptosis and inhibited the proliferation of EMs cells (assessed by MTT and Flow cytometry). Moreover, the induction of apoptosis in treated EMs cells can be due to the regulation of apoptosis-related protein expression, including P53, BAX, and CASP3. Conclusions Our results highlight the potential of RP as the target to treat EMs by promoting apoptosis. Anthraquinones, flavonoids and triterpenoids are the possible pro-apoptotic components in RP.

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endometriosis

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