{"title":"通过代谢物图谱分析和网络药理学，剖析异补骨脂素的潜在抗骨质疏松症机制--补骨脂素是补骨脂中的一种质量控制标记物。","authors":"Yan-Jie Ruan, Guo-Wei Wang, Zi-Hao Chen, Xin-Pu Tu, Chuan-Bao Han, Wei Shi, Jian-Hang Liu, Feng-Xiang Zhang","doi":"10.1002/rcm.9880","DOIUrl":null,"url":null,"abstract":"<div>\n \n <section>\n \n <h3> Rationale</h3>\n \n <p>Isopsoralen (ISO), a quality control marker (Q-marker) in Psoraleae Fructus, is proven to present an obvious anti-osteoporosis effect. Until now, the metabolism and anti-osteoporosis mechanisms of ISO have not been fully elucidated, greatly restricting its drug development.</p>\n </section>\n \n <section>\n \n <h3> Methods</h3>\n \n <p>The metabolites of ISO in rats were profiled by using ultrahigh-performance liquid chromatography coupled with time-of-flight mass spectrometry. The potential anti-osteoporosis mechanism of ISO <i>in vivo</i> was predicted by using network pharmacology.</p>\n </section>\n \n <section>\n \n <h3> Results</h3>\n \n <p>A total of 15 metabolites were characterized in rats after ingestion of ISO (20 mg/kg/day, by gavage), including 2 in plasma, 12 in urine, 6 in feces, 1 in heart, 3 in liver, 1 in spleen, 1 in lung, 3 in kidney, and 2 in brain. The pharmacology network results showed that ISO and its metabolites could regulate AKT1, SRC, NFKB1, EGFR, MAPK3, etc., involved in the prolactin signaling pathway, ErbB signaling pathway, thyroid hormone pathway, and PI3K-Akt signaling pathway.</p>\n </section>\n \n <section>\n \n <h3> Conclusions</h3>\n \n <p>This is the first time for revealing the <i>in vivo</i> metabolism features and potential anti-osteoporosis mechanism of ISO by metabolite profiling and network pharmacology, providing data for further verification of pharmacological mechanism.</p>\n </section>\n </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"38 19","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Dissection of potential anti-osteoporosis mechanism of isopsoralen – a quality control marker in Psoraleae Fructus – by metabolite profiling and network pharmacology\",\"authors\":\"Yan-Jie Ruan, Guo-Wei Wang, Zi-Hao Chen, Xin-Pu Tu, Chuan-Bao Han, Wei Shi, Jian-Hang Liu, Feng-Xiang Zhang\",\"doi\":\"10.1002/rcm.9880\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <section>\\n \\n <h3> Rationale</h3>\\n \\n <p>Isopsoralen (ISO), a quality control marker (Q-marker) in Psoraleae Fructus, is proven to present an obvious anti-osteoporosis effect. Until now, the metabolism and anti-osteoporosis mechanisms of ISO have not been fully elucidated, greatly restricting its drug development.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Methods</h3>\\n \\n <p>The metabolites of ISO in rats were profiled by using ultrahigh-performance liquid chromatography coupled with time-of-flight mass spectrometry. The potential anti-osteoporosis mechanism of ISO <i>in vivo</i> was predicted by using network pharmacology.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Results</h3>\\n \\n <p>A total of 15 metabolites were characterized in rats after ingestion of ISO (20 mg/kg/day, by gavage), including 2 in plasma, 12 in urine, 6 in feces, 1 in heart, 3 in liver, 1 in spleen, 1 in lung, 3 in kidney, and 2 in brain. The pharmacology network results showed that ISO and its metabolites could regulate AKT1, SRC, NFKB1, EGFR, MAPK3, etc., involved in the prolactin signaling pathway, ErbB signaling pathway, thyroid hormone pathway, and PI3K-Akt signaling pathway.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Conclusions</h3>\\n \\n <p>This is the first time for revealing the <i>in vivo</i> metabolism features and potential anti-osteoporosis mechanism of ISO by metabolite profiling and network pharmacology, providing data for further verification of pharmacological mechanism.</p>\\n </section>\\n </div>\",\"PeriodicalId\":225,\"journal\":{\"name\":\"Rapid Communications in Mass Spectrometry\",\"volume\":\"38 19\",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2024-08-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Rapid Communications in Mass Spectrometry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/rcm.9880\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rapid Communications in Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/rcm.9880","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0
摘要
理论依据：异补骨脂素(ISO)是银耳中的一种质量控制标志物(Q-marker)，被证实具有明显的抗骨质疏松作用。迄今为止，ISO 的代谢和抗骨质疏松机制尚未完全阐明，极大地限制了其药物开发：方法：采用超高效液相色谱-飞行时间质谱法对大鼠体内 ISO 的代谢产物进行了分析。方法：采用超高效液相色谱法和飞行时间质谱法分析了 ISO 在大鼠体内的代谢物，并利用网络药理学预测了 ISO 在体内抗骨质疏松症的潜在机制：结果：大鼠摄入 ISO（20 毫克/千克/天，灌胃法）后，共鉴定出 15 种代谢物，包括血浆中的 2 种、尿液中的 12 种、粪便中的 6 种、心脏中的 1 种、肝脏中的 3 种、脾脏中的 1 种、肺中的 1 种、肾脏中的 3 种和脑中的 2 种。药理学网络结果表明，ISO及其代谢物可调控AKT1、SRC、NFKB1、EGFR、MAPK3等参与催乳素信号通路、ErbB信号通路、甲状腺激素通路和PI3K-Akt信号通路：这是首次通过代谢物谱分析和网络药理学揭示 ISO 的体内代谢特征和潜在的抗骨质疏松症机制，为进一步验证药理机制提供了数据。
Dissection of potential anti-osteoporosis mechanism of isopsoralen – a quality control marker in Psoraleae Fructus – by metabolite profiling and network pharmacology
Rationale
Isopsoralen (ISO), a quality control marker (Q-marker) in Psoraleae Fructus, is proven to present an obvious anti-osteoporosis effect. Until now, the metabolism and anti-osteoporosis mechanisms of ISO have not been fully elucidated, greatly restricting its drug development.
Methods
The metabolites of ISO in rats were profiled by using ultrahigh-performance liquid chromatography coupled with time-of-flight mass spectrometry. The potential anti-osteoporosis mechanism of ISO in vivo was predicted by using network pharmacology.
Results
A total of 15 metabolites were characterized in rats after ingestion of ISO (20 mg/kg/day, by gavage), including 2 in plasma, 12 in urine, 6 in feces, 1 in heart, 3 in liver, 1 in spleen, 1 in lung, 3 in kidney, and 2 in brain. The pharmacology network results showed that ISO and its metabolites could regulate AKT1, SRC, NFKB1, EGFR, MAPK3, etc., involved in the prolactin signaling pathway, ErbB signaling pathway, thyroid hormone pathway, and PI3K-Akt signaling pathway.
Conclusions
This is the first time for revealing the in vivo metabolism features and potential anti-osteoporosis mechanism of ISO by metabolite profiling and network pharmacology, providing data for further verification of pharmacological mechanism.
期刊介绍：
Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.
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