[關(guān)鍵詞]
[摘要]
目的 通過整合藥理學(xué)平臺尋找金鈴子散治療消化性潰瘍的質(zhì)量標志物并探討其作用機制。方法 以整合藥理學(xué)平臺為基礎(chǔ)建立金鈴子散"藥材-成分""疾病-靶標-成分"數(shù)據(jù)庫,篩選關(guān)鍵靶標并進行通路富集分析,以Score ≥ 0.8為相似度,采用AI技術(shù)對數(shù)據(jù)庫進行分析和相互關(guān)聯(lián),進行金鈴子散治療消化性潰瘍的"中藥-成分-靶標-通路"多維網(wǎng)絡(luò)分析,篩選出金鈴子散抗?jié)兊馁|(zhì)量標志物,并對其分子機制進行預(yù)測。結(jié)果 通過整合藥理學(xué)平臺中藥成分數(shù)據(jù)庫搜索,川楝子共收集7個成分,主要為三萜類成分,共預(yù)測到2個潛在的疾病靶標;延胡索共收集31個化學(xué)成分,主要為生物堿類成分,共預(yù)測到9個潛在疾病靶標。經(jīng)篩選與通路富集分析,篩選出與治療消化性潰瘍相關(guān)的關(guān)鍵靶標7個RAC1、RAC2、NCF1、NCF2、NCF4、CYBA、ATP1A1,基因功能主要有血管內(nèi)皮生長因子(VEGF)受體信號通路、谷氨酸受體活性及相關(guān)通道、磷脂酰肌醇、血小板活化及其生長因子、Ras鳥苷核苷酸交換因子活性等。對數(shù)據(jù)庫進行分析互聯(lián),最后篩選出海罌粟堿為金鈴子散抗?jié)兊馁|(zhì)量標志物,金鈴子散可能是通過神經(jīng)系統(tǒng)、免疫系統(tǒng)、細胞通信、RAS通路、RAP1通路及黏合連接通路等達到治療潰瘍效果。結(jié)論 金鈴子散應(yīng)以延胡索和海罌粟堿做為進一步研究抗消化性潰瘍的主要目標。
[Key word]
[Abstract]
Objective To find the quality marker and explore the mechanism of peptic ulcer by integrating pharmacology platform. Methods Based on integrated pharmacology platform, the database of "medicinal herbs-ingredients" and "disease targetsingredients" of Jinlingzi san were established, screening key targets for channel enrichment analysis. Using Score ≥ 0.8 as a similarity, then the AI technology was used to analyze and interrelate the database. The multi-dimensional network analysis of "traditional Chinese medicine-component-target-pathway" for Jinlingzi powder in treating peptic ulcer was carried out. Finally the quality markers of the anti ulcer were screened and the molecular mechanism was predicted. Results By searching the database of TCM components on the platform of integrated pharmacology, seven components were collected from toosendan, mainly triterpenoids, and two potential disease targets were predicted. Thirty-one chemical components were collected from Corydalis yanhusuo, mainly alkaloids, and nine potential disease targets were predicted. Seven key targets related to the treatment of peptic ulcer, including RAC1, RAC2, NCF1, NCF2, NCF4, CYBA and ATP1A1, were screened through screening and pathway enrichment analysis. The main gene functions were vascular endothelial growth factor (VEGF) receptor signaling pathway, glutamate receptor activity and related pathways, phosphatidylinositol, platelet activation and its growth factor, Ras guanosine nucleotide exchange factor activity, etc. The database was analyzed and interlinked. finally the Glaucine was selected as the anti ulcer marker component (Q-marker). Jinlingzi san may be used to treat ulcer through nervous system, immune system, cell communication, RAS pathway, RAP1 pathway and adhesion pathway. Conclusion Jinlingzi san should study the primary target in Corydlis Rhizoma and Glaucine for further study of the anti peptic ulcer.
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