Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology
<i>Ipomoea pes-caprae</i> (L.) Sweet (Convolvulaceae) is a commonly used marine Chinese medicine in the coastal areas of southern China. Traditionally, it has been used in the treatment of rheumatoid arthritis (RA). However, the mechanism of action against RA remains unclear. This study...
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MDPI AG
2025-03-01
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| author | Fangfei Zhong Siwei Li Xianglong Pan Juan Wen Jinling Xie Zhengcai Du Erwei Hao Jiagang Deng Xiaotao Hou |
| author_facet | Fangfei Zhong Siwei Li Xianglong Pan Juan Wen Jinling Xie Zhengcai Du Erwei Hao Jiagang Deng Xiaotao Hou |
| author_sort | Fangfei Zhong |
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| description | <i>Ipomoea pes-caprae</i> (L.) Sweet (Convolvulaceae) is a commonly used marine Chinese medicine in the coastal areas of southern China. Traditionally, it has been used in the treatment of rheumatoid arthritis (RA). However, the mechanism of action against RA remains unclear. This study aimed to explore the mechanism of action of <i>Ipomoea pes-caprae</i> water extract (IPE) in the treatment of RA through serum metabolomics and network pharmacology. Rat models of RA with wind-dampness cold bi-syndrome (WCM) and wind-dampness heat bi-syndrome (WHM) were established to evaluate the therapeutic effect of IPE against RA. Ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) technology was used to analyze the absorbed components of IPE in the plasma of the two models. Serum metabolomics was employed to identify potential biomarkers and metabolic pathways of IPE in the treatment of RA. The key targets and related pathways of RA were screened using network pharmacology and validated using molecular docking. The biomarker-pathway-target network was mapped via the combination of metabolomics and network pharmacology. A total of 10 chemical constituents were identified from WHM rat plasma, and eight chemical constituents were identified from WCM rat plasma. Serum metabolomics research identified 20 endogenous potential biomarkers, and 10 major metabolic pathways closely related to WHM and WCM. Network pharmacology analysis yielded 65 overlapping targets, with the core targets being ALB, AKT1, EGFR, and CASP3. Molecular docking showed that the four absorbed components in plasma had a strong binding activity with ALB and AKT1. Combining metabolomics and network pharmacology, two major biomarkers and two major pathways were identified. IPE can effectively relieve the symptoms of RA, and the potential mechanism of IPE in treating RA has been preliminarily elucidated. These results can provide a scientific basis for further drug research and development, as well as clinical application. |
| format | Article |
| id | doaj-art-06af13bf2b164b549adc4601a968bcf2 |
| institution | OA Journals |
| issn | 1660-3397 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Marine Drugs |
| spelling | doaj-art-06af13bf2b164b549adc4601a968bcf22025-08-20T02:11:11ZengMDPI AGMarine Drugs1660-33972025-03-0123311410.3390/md23030114Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network PharmacologyFangfei Zhong0Siwei Li1Xianglong Pan2Juan Wen3Jinling Xie4Zhengcai Du5Erwei Hao6Jiagang Deng7Xiaotao Hou8Guangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, ChinaGuangxi Key Laboratory of Efficacy Study on Chinese Materia Medica, Guangxi University of Chinese Medicine, Nanning 530200, China<i>Ipomoea pes-caprae</i> (L.) Sweet (Convolvulaceae) is a commonly used marine Chinese medicine in the coastal areas of southern China. Traditionally, it has been used in the treatment of rheumatoid arthritis (RA). However, the mechanism of action against RA remains unclear. This study aimed to explore the mechanism of action of <i>Ipomoea pes-caprae</i> water extract (IPE) in the treatment of RA through serum metabolomics and network pharmacology. Rat models of RA with wind-dampness cold bi-syndrome (WCM) and wind-dampness heat bi-syndrome (WHM) were established to evaluate the therapeutic effect of IPE against RA. Ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) technology was used to analyze the absorbed components of IPE in the plasma of the two models. Serum metabolomics was employed to identify potential biomarkers and metabolic pathways of IPE in the treatment of RA. The key targets and related pathways of RA were screened using network pharmacology and validated using molecular docking. The biomarker-pathway-target network was mapped via the combination of metabolomics and network pharmacology. A total of 10 chemical constituents were identified from WHM rat plasma, and eight chemical constituents were identified from WCM rat plasma. Serum metabolomics research identified 20 endogenous potential biomarkers, and 10 major metabolic pathways closely related to WHM and WCM. Network pharmacology analysis yielded 65 overlapping targets, with the core targets being ALB, AKT1, EGFR, and CASP3. Molecular docking showed that the four absorbed components in plasma had a strong binding activity with ALB and AKT1. Combining metabolomics and network pharmacology, two major biomarkers and two major pathways were identified. IPE can effectively relieve the symptoms of RA, and the potential mechanism of IPE in treating RA has been preliminarily elucidated. These results can provide a scientific basis for further drug research and development, as well as clinical application.https://www.mdpi.com/1660-3397/23/3/114rheumatoid arthritis<i>Ipomoea pes-caprae</i>serum metabolomicsnetwork pharmacologypharmacokineticsmechanism of action |
| spellingShingle | Fangfei Zhong Siwei Li Xianglong Pan Juan Wen Jinling Xie Zhengcai Du Erwei Hao Jiagang Deng Xiaotao Hou Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology Marine Drugs rheumatoid arthritis <i>Ipomoea pes-caprae</i> serum metabolomics network pharmacology pharmacokinetics mechanism of action |
| title | Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology |
| title_full | Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology |
| title_fullStr | Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology |
| title_full_unstemmed | Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology |
| title_short | Investigating the Mechanism of Action of <i>Ipomoea pes-caprae</i> in the Treatment of Rheumatoid Arthritis Based on Serum Metabolomics and Network Pharmacology |
| title_sort | investigating the mechanism of action of i ipomoea pes caprae i in the treatment of rheumatoid arthritis based on serum metabolomics and network pharmacology |
| topic | rheumatoid arthritis <i>Ipomoea pes-caprae</i> serum metabolomics network pharmacology pharmacokinetics mechanism of action |
| url | https://www.mdpi.com/1660-3397/23/3/114 |
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