目的 基于數(shù)據(jù)挖掘與網(wǎng)絡(luò)藥理學(xué)方法，系統(tǒng)分析中藥復(fù)方治療感染性肺炎的藥效物質(zhì)及作用機制。方法 通過中醫(yī)傳承輔助系統(tǒng)（V3.0）對中華中醫(yī)藥學(xué)會遴選出的45首中藥方劑進行頻次、關(guān)聯(lián)規(guī)則分析。利用中藥系統(tǒng)藥理學(xué)數(shù)據(jù)庫與分析平臺（TCMSP）結(jié)合現(xiàn)代生物學(xué)手段，通過對炎癥水平的抑制作用以及對細胞骨架損傷修復(fù)作用的評價，篩選出活性成分，整合Genecards等數(shù)據(jù)庫獲取共有靶點，構(gòu)建蛋白質(zhì)-蛋白質(zhì)相互作用（PPI）網(wǎng)絡(luò)并進行基因本體（GO）分析和京都基因和基因組百科全書（KEGG）通路富集分析。最后經(jīng)由分子對接驗證。結(jié)果 篩選出甘草、半夏、桔梗等16味中藥為復(fù)方治療感染性肺炎的核心藥物，明確木犀草素、綠原酸和甘草次酸3個關(guān)鍵藥效物質(zhì)，并確定35個治療感染性肺炎的核心靶點。分子對接結(jié)果提示核心成分與核心靶點結(jié)合穩(wěn)定。結(jié)論 木犀草素、綠原酸和甘草次酸可通過Ras蛋白（Ras）磷脂酰肌醇3激酶（PI3K-Akt）、血管內(nèi)皮生長因子（VEGF）信號通路調(diào)節(jié)肺部炎癥、改善氣道功能，起到治療感染性肺炎的作用。

Objective To systematically investigate the pharmacodynamic substances and mechanisms of traditional Chinese medicine (TCM) in treating infectious pneumonia through data mining and network pharmacology approaches. Methods Forty-five formulas from the China Association of Chinese Medicine were analyzed using the TCM Inheritance Support System (V3.0) for frequency statistics and association rule mining. Active components were screened via the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) combined with modern biological evaluations, including anti-inflammatory activity assessment and cytoskeletal damage repair efficacy. Shared targets were identified by integrating Genecards and other databases, followed by protein-protein interaction (PPI) network construction, Gene Ontology (GO) functional annotation, and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. Molecular docking was performed for validation. Results Sixteen core herbs (e.g., Glycyrrhizae Radix et Rhizoma, Pinelliae Rhizoma, and Platycodonis Radix) and three key pharmacodynamic compounds (luteolin, chlorogenic acid, and glycyrrhetinic acid) were identified. Thirty-five core therapeutic targets for infectious pneumonia were determined, with molecular docking confirming stable binding affinities between core compounds and targets. Conclusion Luteolin, chlorogenic acid, and glycyrrhetinic acid exert therapeutic effects on infectious pneumonia by modulating pulmonary inflammation and improving airway function through the Ras, PI3K-Akt, and VEGF signaling pathways.

R974

國家自然科學(xué)基金青年項目（82404968）；天津市教委科研計劃項目（2021KJ129）