目的 利用網(wǎng)絡(luò)藥理學(xué)的方法探究丹香冠心注射液治療心絞痛、心肌梗死的作用機制及配伍規(guī)律。方法 選取丹香冠心注射液中丹參中有機酸類成分丹參素、原兒茶醛，丹酚酸類成分丹酚酸B、丹酚酸D、迷迭香酸及降香中揮發(fā)油類成分橙花叔醇、氧化橙花叔醇、香蘭素為研究對象，利用Swiss Target Prediction、TCMSP數(shù)據(jù)庫對8個化合物的潛在作用靶點進行預(yù)測。借助GeneCards、OMIM、DisGeNET等數(shù)據(jù)庫收集與心絞痛、心肌梗死相關(guān)的靶點，將化合物靶點和疾病靶點取交集，然后通過String、Omicsbean等數(shù)據(jù)庫篩選核心靶點及通路，借助Cytoscape軟件構(gòu)建丹參、降香“藥材–成分–靶點–通路–藥理作用”網(wǎng)絡(luò)圖，并利用分子對接技術(shù)對預(yù)測結(jié)果進行驗證。最后通過數(shù)據(jù)整合分析，剖析丹香冠心注射液的作用機制及配伍規(guī)律。結(jié)果 8個化合物通過作用于35個核心靶點干預(yù)了33條相關(guān)信號通路，發(fā)揮抗炎、外周鎮(zhèn)痛、中樞鎮(zhèn)痛、抗血栓、擴張血管、保護血管內(nèi)皮、神經(jīng)保護、抗氧化應(yīng)激等作用。各類成分既有共同的作用靶點群及通路群，又各有偏重，各通路群間通過共有靶點連接，顯示出不同成分間的多靶點、多途徑的協(xié)同作用。結(jié)論 丹參可通過抗炎、外周鎮(zhèn)痛、抗血栓、保護血管內(nèi)皮功能、擴張血管等發(fā)揮抗炎、活血、祛瘀等功效，起到君藥的作用。降香除調(diào)節(jié)上述相關(guān)過程外還可通過作用于中樞鎮(zhèn)痛相關(guān)受體從而發(fā)揮理氣止痛、化瘀止血的功效，輔助君藥丹參起到臣藥作用。

Objective To explore the mechanism and compatibility rules of Danxiang Guanxin Injection for the treatment of angina pectoris and myocardial infarction by network pharmacology. Methods Salvianic acid A and protocatechuic aldehyde of organic acids, and salvianolic acid B, salvianolic acid D, rosmarinic acid of salvianolic acid compounds in Salvia miltiorrhiza, and nerolidol, nerolidol oxide, and vanillin of volatile oil in Dalbergiae Odoriferae Lignum were studied. The potential targets of 8 compounds were predicted by Swiss Target Prediction and TCMSP database. The disease targets related to angina pectoris and myocardial infarction were collected by searching GeneCards, OMIM, DisGeNET databases, and the compound targets and disease targets were intersected. Then the core targets and pathways were screened by String and Omicsbean. The network of "herb-compound-target-pathway- pharmacological action" of Salvia miltiorrhiza and Dalbergiae Odoriferae Lignum was constructed by Cytoscape, and the results were verified by molecular docking. Finally, mechanism and compatibility of Danxiang Guanxin Injection were analyzed by data integration.Results The 8 compounds can act on 35 related targets and 33 related pathways, mainly related to anti-inflammation, peripheral analgesia, central analgesia, antithrombotic, vasodilation, protection of vascular endothelium, neuroprotection, antioxidant stress and so on. All kinds of compounds not only have common target groups and pathway groups, but also have their own emphasis. Through the connection of common targets, each pathway group shows the synergistic effect of multi-targets and multi-pathways among different components. Conclusion Salvia miltiorrhiza can exert anti-inflammation, blood activating and blood stasis removing effects through anti-inflammatory, peripheral analgesia, antithrombotic, protecting vascular endothelium and dilating blood vessels. In addition to regulating the above-mentioned related processes, Dalbergiae Odoriferae Lignum can also exert the effect of regulating qi and relieving pain, removing blood stasis and hemostasis by acting on the related receptors of central analgesia, assist the monarch drug Salvia miltiorrhiza to play the role of subject medicine.

R286.2

天津市科技計劃項目（20KPHDRC00020）