目的 基于數(shù)據(jù)挖掘和網(wǎng)絡藥理學探討國家專利數(shù)據(jù)庫的中藥復方治療胃癌的用藥規(guī)律及作用機制。方法 檢索中國專利公布公告網(wǎng)自建庫至2023年10月治療胃癌中藥復方專利，運用古今醫(yī)案云平臺和IBM SPSS Modeler將規(guī)范后的數(shù)據(jù)進行頻次、中藥屬性、關聯(lián)規(guī)則、聚類等分析。運用中藥系統(tǒng)藥理學數(shù)據(jù)庫與分析平臺（TCMSP）獲取白花蛇舌草、半枝蓮和黃芪的有效成分及作用靶點；用GeneCards、DrugBank、OMIM、PharmGkb、TTD數(shù)據(jù)庫獲得胃癌的疾病靶點；運用R語言篩選出共同作用靶點；采用STRING數(shù)據(jù)庫構建靶點蛋白質-蛋白質相互作用（PPI）網(wǎng)絡；運用Cytoscape軟件構建藥物成分-疾病靶點網(wǎng)絡圖及篩選共同靶點中的核心靶點；運用R語言進行京都基因與基因組百科全書（KEGG）通路富集分析。結果 共納入專利287項，包含中藥838味；來源于24個省、市及自治區(qū)；藥性以溫、平、寒為主；藥味以甘、苦、辛為主；歸經(jīng)以脾、肝、肺為主；高頻單味藥有白花蛇舌草、黃芪、甘草、白術、半枝蓮等；最常用藥對是白花蛇舌草-黃芪和白花蛇舌草-半枝蓮；關聯(lián)分析獲得藥組15個；高頻藥物聚類分析獲得3個核心藥物組合。高頻藥對白花蛇舌草、半枝蓮和黃芪有效成分44個，272個作用靶點；胃癌8 961個靶點，篩選得到共同靶點198個。KEGG通路富集分析得到83條相關通路，主要富集在癌癥信號通路、凋亡信號通路、P53信號通路等。結論 中藥復方專利治療胃癌有規(guī)律可循，組方可寒溫并用，以補虛健脾，解毒抑瘤為基本治法。其作用機制具有多成分、多靶點、多通路的特點。

Objective To analyze the medication rule and mechanism of traditional Chinese medicine compound of national patent database in treating gastric cancer based on data mining and network pharmacology. Methods The patent of TCM compound for treating gastric cancer from inception to October 2023 were searched by national patent database. The prescription database was established with Microsoft Excel software. The ancient and modern medical case cloud platform and IBM SPSS Modeler were used to perform attribute analysis, frequency analysis, association rule analysis, and cluster analysis. TCMSP was used to obtain the effective constituents and target sites of Hedyoti Diffusae Herba, Scutellariae Barbatae Herba and Astragali Radix. Disease targets of gastric cancer were obtained by GeneCards, DrugBank, OMIM, PharmGkb and TTD databases. R language was used to screen common targets. Target protein interaction PPI network was constructed using STRING database. Construct drug component-disease target network map and screen common target core targets using Cytoscape software. KEGG analysis using R language. Results A total of 287 TCM compound patents were included, including 838 Chinese herbs. They came from 24 provinces, municipalities and autonomous regions. Their properties were mainly warm, average and cold, the tastes were mainly sweet, bitter and pungent。 Drugs were mainly belong to spleen, liver and lung channel tropism. High-frequency single traditional Chinese medicines include hedyotis diffusae, Astragalus membranaceus, licorice, atractylodes macrocephala and Scutellaria barbata, etc. High-frequency drug pairs including "Hedyoti Diffusae Herba-Astragali Radix"and "Hedyoti Diffusae Herba-Scutellariae Barbatae Herba". The association rule analysis obtained 15 drug groups. Three core drug groups were obtained by cluster analysis of high-frequency drugs. There were 44 effective components and 272 targets of high frequency drug against Hedyoti Diffusae Herba, Scutellariae Barbatae Herba and Astragali Radix. There were 8 961 targets in gastric cancer, and 198 common targets were identified by screening. KEGG pathway enrichment analysis showed 83 related pathways, mainly concentrated in cancer signaling pathway, apoptosis signaling pathway, P53 signaling pathway, etc. Conclusion The treatment of gastric cancer with traditional Chinese medicine compound has an obvious rule. In the treatment of gastric cancer, the formula can be combined with cold and warm drugs, and the basic treatment is to enhance body function and inhibit tumor growth. The mechanism is characterized by multiple components, targets and pathways.

R285.5

陜西省自然科學基礎研究計劃項目(2023-JC-YB-803)