目的 挖掘《中國藥典》2020年版一部（簡稱《中國藥典》）腎病相關(guān)中藥成方制劑的核心藥對，并研究其治療腎病的作用機制。方法 以《中國藥典》為數(shù)據(jù)來源，使用Excel建立數(shù)據(jù)庫。使用R studio軟件通過R環(huán)境對數(shù)據(jù)庫進行頻次分析、關(guān)聯(lián)規(guī)則分析、聚類分析和處方相似度分析。使用VOSviewer軟件通過文獻計量學的方法篩選腎病相關(guān)熱點靶點。使用Discovery Studio軟件將核心藥對治療腎病的主要化學成分和腎病熱點靶點進行分子對接，探究其作用機制。結(jié)果 數(shù)據(jù)庫中包含中藥處方166首，中藥347味，藥味總頻次1 786次。Apriori和Eclat關(guān)聯(lián)規(guī)則分析得到核心藥對“山藥-茯苓”；聚類分析和相關(guān)性分析得到核心藥對“山茱萸-牡丹皮”；處方相似度分析得到核心處方六味地黃丸。文獻計量學研究得到腎病相關(guān)熱點靶點轉(zhuǎn)化生長因子-β1（transforming growth factor-β1，TGF-β1）和通路TGF-β1/Smad。分子對接研究表明核心藥對通過作用于TGF-β1/Smad信號通路發(fā)揮治療腎病的作用。結(jié)論 研究挖掘了《中國藥典》中治療腎病的核心藥對，并預測了其作用機制，對指導臨床用藥、發(fā)現(xiàn)新藥以及中醫(yī)藥現(xiàn)代化提供了研究思路和方法。

ObjectiveTo explore the core drug pairs from traditional Chinese medicine (TCM) prescription related to kidney disease in the first part of the 2020 edition of Chinese Pharmacopoeia (Chinese Pharmacopoeia for short), and study its mechanism of action in the treatment of kidney disease. Method Chinese Pharmacopoeia was used as the data source, and Excel was used to establish the database. Frequency analysis, association rule analysis, cluster analysis and prescription similarity analysis were performed on the database through R environment using R studio software. VOSviewer software was used to screen the hot targets related to kidney disease by bibliometric methods. Discovery Studio software was used to molecular dock between the main chemical components of the core drugs in the treatment of nephropathy and the hotspot targets of nephropathy to explore their mechanisms of action. ResultsThe database contained 166 TCM prescriptions, 347 TCMs, and the total frequency of the flavors was 1 786 times. Apriori and Eclat association rules were analyzed to obtain the core drug pair of Shanyao (Dioscoreae Rhizoma)-Fuling (Poria). Cluster analysis and correlation analysis were used to obtain the core pairs of Shanzhuyu (Corni Fructus)-Mudanpi (Moutan Cortex). Prescription similarity analysis obtained the core prescription Liuwei Dihuang Pills. The bibliometric study obtained the hotspot target transforming growth factor-β1 (TGF-β1) and the pathway TGF-β1/Smad related to renal disease, and the molecular docking study indicated that the core pair could play a therapeutic role in the treatment of kidney disease by acting on the TGF-β1/Smad signaling pathway. Conclusion This study excavated the core drug pairs for the treatment of kidney disease in Chinese Pharmacopoeia, predicted their mechanism of action, and provided research ideas and methods for clinical drug guidance, new drug discovery and modernization of TCM.

R285;G350

國家自然科學基金青年科學基金項目(82104531);國家自然科學基金面上項目(82074121);國家中醫(yī)藥管理局高水平中醫(yī)藥重點學科建設(shè)項目-中藥化學