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[摘要]
目的 通過網(wǎng)絡藥理學研究三七的主要活性成分、作用靶點、相關信號通路和疾病等幾方面的關聯(lián)性,揭示其發(fā)揮藥效的作用機制。方法 從中藥系統(tǒng)藥理學分析平臺(TCMSP)數(shù)據(jù)庫中獲得三七的化學成分,并把口服生物利用度(OB)≥ 30%和類藥性(DL)≥ 0.15作為篩選條件,獲得三七的主要活性成分和相關作用靶點。通過UniProt數(shù)據(jù)庫提取作用靶點的基因名稱,并用CTD網(wǎng)絡在線分析平臺獲得與靶點相關的疾病和信號通路。最后用Cytoscape 3.6.1構建"活性成分-靶點""靶點-信號通路"和"靶點-疾病"網(wǎng)絡圖,采用Cytoscape 3.6.1的Network Analyzer插件分析網(wǎng)絡圖,探討三七的多重藥理作用機制。結果 共獲得槲皮素、β-谷甾醇、豆甾醇、人參皂苷rh2等9個主要活性成分;這些成分可作用于176個靶點,其主要靶點有PTGS2、PTGS1、HSP90AB1、ER、PDE3A等,這些靶點與腫瘤、高血壓、中樞神經(jīng)系統(tǒng)障礙、自身免疫疾病等45種疾病相關,涵蓋癌癥、心血管系統(tǒng)、神經(jīng)系統(tǒng)、免疫系統(tǒng)等幾大類疾病。三七的主要活性成分通過作用于靶點而影響相關的信號通路發(fā)揮治療疾病的作用,其影響的信號通路主要包括信號轉導通路、免疫通路、Cytokine信號通路、癌癥通路等,其中腫瘤、免疫相關的占絕大部分。結論 三七是通過多成分、多靶點、多信號通路的協(xié)調作用發(fā)揮治療疾病的作用,其中在治療腫瘤疾病和增強人體免疫力方面具有潛在的優(yōu)勢。
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[Abstract]
Objective To investigate the main components, action targets, related pathways, diseases, and reveal the multidimensional action pharmacology mechanism of Panax notoginseng based on pharmacology network. Methods The components of Panax notoginseng action targets and were obtained from TCMSP database, and The components with OB ≥ 30% and DL ≥ 0.15 were the main active. The gene names of the targets and the pathways and corresponding diseases related with the targets were extracted from Uniprot database and CTD analysis platform online, respectively. At last, the components-target, target-pathway, and target-disease networks were constructed through Cytoscape 3.6.1, and the networks were analyzed through the Network Analyzer of Cytoscape 3.6.1 to study the multidimensional action pharmacology mechanism of Panax notoginseng.Results The 9 active components were obtained, such as quercetin, beta-sitosterol, stigmasterol, ginsenoside rh2. There were 176 targets related with the 9 active components, and the main targets were PTGS2, PTGS1, HSP90AB1, ER, PDE3A and so on. Those targets were related with 45 diseases including Cancer, Cardiovascular disease, Nervous system disease, Immune system diseaseand so on. The main active components acted on the targets affecting the corresponding pathways in the treatment of diseases, the pathways influenced by the main components of Panax notoginseng containedPathways in cancer, Signal Transduction, Innate Immune System, and so on, indicating that Panax notoginseng has multiple components, targets, pathways providing synergistic effects in the treatment of diseases. Conclusion The study revealed the main active components of Pueraria lobata and related multidimensional action pharmacology mechanism by pharmacology network, providing the scientific basis for the development and application of Panax notoginseng.
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