Xinyi Li , Sheng Lin , Yi Lin , Youxiang Su , Chao Wang , Liangqing Huang , Jing Zhao , Guihua Tian
{"title":"喜少方对神经性疼痛镇痛机制的代谢组学研究","authors":"Xinyi Li , Sheng Lin , Yi Lin , Youxiang Su , Chao Wang , Liangqing Huang , Jing Zhao , Guihua Tian","doi":"10.1016/j.jtcms.2023.09.006","DOIUrl":null,"url":null,"abstract":"<div><h3>Objective</h3><p>To explore the mechanism of Xi Shao Formula (XSF) in treating neuropathic pain (NP) through metabolomics and network pharmacology.</p></div><div><h3>Methods</h3><p>A chronic compression injury (CCI) of the sciatic nerve model was established to simulate NP; following CCI induction, animals were gavaged with normal saline, XSF, or the positive control drug pregabalin for 21 days. Serum metabolomics methods and enrichment analysis were employed to identify significant serum metabolites and metabolic pathways influenced by XSF. Through network pharmacology and liquid chromatograph with mass spectrometer analyses, the active compounds and targets of XSF for treating NP were analyzed. Additionally, the serum metabolomics and network pharmacology analysis results were integrated, drawing network diagrams illustrating the relationships between “target, metabolic pathway, and metabolite” using Cytoscape 3.9.1. The findings were further validated through molecular docking.</p></div><div><h3>Results</h3><p>Based on metabolomics, 11 differential endogenous metabolites were identified as potential biomarkers related to XSF for treating NP; functional enrichment analysis revealed eight metabolic pathways in XSF for treating NP. Based on integrated metabolomics and network pharmacology, the “monoamine oxidase A (MAOA)/MAOB/tyrosinase (TYR)–tyrosine metabolism pathway–gentisic acid” emerged as a significant network pathway in XSF for treating NP. The molecular docking results revealed high affinity and stable interaction between the active components of XSF and their respective target, namely MAOA, MAOB, and TYR (binding energy < −5 kcal/mol).</p></div><div><h3>Conclusion</h3><p>Our findings supported and enhanced our current understanding of the therapeutic effects of XSF on NP, providing a scientific basis for the clinical application and mechanism research of XSF.</p></div>","PeriodicalId":36624,"journal":{"name":"Journal of Traditional Chinese Medical Sciences","volume":"10 4","pages":"Pages 448-460"},"PeriodicalIF":0.0000,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The analgesic mechanism of Xi Shao Formula research on neuropathic pain based on metabolomics\",\"authors\":\"Xinyi Li , Sheng Lin , Yi Lin , Youxiang Su , Chao Wang , Liangqing Huang , Jing Zhao , Guihua Tian\",\"doi\":\"10.1016/j.jtcms.2023.09.006\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Objective</h3><p>To explore the mechanism of Xi Shao Formula (XSF) in treating neuropathic pain (NP) through metabolomics and network pharmacology.</p></div><div><h3>Methods</h3><p>A chronic compression injury (CCI) of the sciatic nerve model was established to simulate NP; following CCI induction, animals were gavaged with normal saline, XSF, or the positive control drug pregabalin for 21 days. Serum metabolomics methods and enrichment analysis were employed to identify significant serum metabolites and metabolic pathways influenced by XSF. Through network pharmacology and liquid chromatograph with mass spectrometer analyses, the active compounds and targets of XSF for treating NP were analyzed. Additionally, the serum metabolomics and network pharmacology analysis results were integrated, drawing network diagrams illustrating the relationships between “target, metabolic pathway, and metabolite” using Cytoscape 3.9.1. The findings were further validated through molecular docking.</p></div><div><h3>Results</h3><p>Based on metabolomics, 11 differential endogenous metabolites were identified as potential biomarkers related to XSF for treating NP; functional enrichment analysis revealed eight metabolic pathways in XSF for treating NP. Based on integrated metabolomics and network pharmacology, the “monoamine oxidase A (MAOA)/MAOB/tyrosinase (TYR)–tyrosine metabolism pathway–gentisic acid” emerged as a significant network pathway in XSF for treating NP. The molecular docking results revealed high affinity and stable interaction between the active components of XSF and their respective target, namely MAOA, MAOB, and TYR (binding energy < −5 kcal/mol).</p></div><div><h3>Conclusion</h3><p>Our findings supported and enhanced our current understanding of the therapeutic effects of XSF on NP, providing a scientific basis for the clinical application and mechanism research of XSF.</p></div>\",\"PeriodicalId\":36624,\"journal\":{\"name\":\"Journal of Traditional Chinese Medical Sciences\",\"volume\":\"10 4\",\"pages\":\"Pages 448-460\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Traditional Chinese Medical Sciences\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2095754823000558\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Medicine\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Traditional Chinese Medical Sciences","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2095754823000558","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Medicine","Score":null,"Total":0}
The analgesic mechanism of Xi Shao Formula research on neuropathic pain based on metabolomics
Objective
To explore the mechanism of Xi Shao Formula (XSF) in treating neuropathic pain (NP) through metabolomics and network pharmacology.
Methods
A chronic compression injury (CCI) of the sciatic nerve model was established to simulate NP; following CCI induction, animals were gavaged with normal saline, XSF, or the positive control drug pregabalin for 21 days. Serum metabolomics methods and enrichment analysis were employed to identify significant serum metabolites and metabolic pathways influenced by XSF. Through network pharmacology and liquid chromatograph with mass spectrometer analyses, the active compounds and targets of XSF for treating NP were analyzed. Additionally, the serum metabolomics and network pharmacology analysis results were integrated, drawing network diagrams illustrating the relationships between “target, metabolic pathway, and metabolite” using Cytoscape 3.9.1. The findings were further validated through molecular docking.
Results
Based on metabolomics, 11 differential endogenous metabolites were identified as potential biomarkers related to XSF for treating NP; functional enrichment analysis revealed eight metabolic pathways in XSF for treating NP. Based on integrated metabolomics and network pharmacology, the “monoamine oxidase A (MAOA)/MAOB/tyrosinase (TYR)–tyrosine metabolism pathway–gentisic acid” emerged as a significant network pathway in XSF for treating NP. The molecular docking results revealed high affinity and stable interaction between the active components of XSF and their respective target, namely MAOA, MAOB, and TYR (binding energy < −5 kcal/mol).
Conclusion
Our findings supported and enhanced our current understanding of the therapeutic effects of XSF on NP, providing a scientific basis for the clinical application and mechanism research of XSF.
期刊介绍：
Production and Hosting by Elsevier B.V. on behalf of Beijing University of Chinese Medicine Peer review under the responsibility of Beijing University of Chinese Medicine. Journal of Traditional Chinese Medical Sciences is an international, peer-reviewed publication featuring advanced scientific research in Traditional Chinese medicine (TCM). The journal is sponsored by Beijing University of Chinese Medicine and Tsinghua University Press, and supervised by the Ministry of Education of China. The goal of the journal is to serve as an authoritative platform to present state-of-the-art research results. The journal is published quarterly. We welcome submissions of original papers on experimental and clinical studies on TCM, herbs and acupuncture that apply modern scientific research methods. The journal also publishes case reports, reviews, and articles on TCM theory and policy.
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