[關(guān)鍵詞]
[摘要]
目的 探討半枝蓮-白花蛇舌草藥對的物質(zhì)基礎(chǔ)及藥理作用機(jī)制。方法 利用中藥系統(tǒng)藥理分析平臺(TCMSP)中提取出半枝蓮和白花蛇舌草的化學(xué)成分,以口服利用度(OB)≥30%、類藥性(DL)≥0.18為條件篩選出候選化合物,并通過該數(shù)據(jù)庫檢索與活性成分相關(guān)的作用靶點(diǎn)以及與靶點(diǎn)相關(guān)的疾??;利用CTD在線分析平臺查詢靶點(diǎn)相關(guān)的主要生物學(xué)通路。從而構(gòu)建出成分-靶點(diǎn)、靶點(diǎn)-疾病、靶點(diǎn)-生物學(xué)通路網(wǎng)絡(luò)圖。結(jié)果 通過篩選,得到33個候選化合物,相應(yīng)靶點(diǎn)230個,相關(guān)疾病319種。其中度值較高的候選成分為槲皮素、木犀草素等;候選化合物作用的核心靶點(diǎn)為PTGS1、PTGS2及HSP90等;潛在靶標(biāo)與腫瘤、神經(jīng)退行性疾病、精神性疾病、心血管疾病、炎癥性疾病等319種疾病相關(guān)聯(lián);靶點(diǎn)相關(guān)的主要生物學(xué)通路有腫瘤、免疫系統(tǒng)相關(guān),以及鈣信號通路等30條。結(jié)論 本研究對半枝蓮-白花蛇舌草藥對的物質(zhì)基礎(chǔ)及作用機(jī)制進(jìn)行初步探討,為進(jìn)一步深入研究其藥理作用機(jī)制提供參考。
[Key word]
[Abstract]
Objective To investigate the components and pharmacology mechanism of Scutellaria Barbata-Hedyotis diffusa pair by network pharmacology. Method All of chemical components related to the two traditional Chinese medicines were collected from the TCMSP database, the oral bioavailability (OB) ≥ 30% and drug likeness(DL) ≥ 0.18 were used as the screeing conditions for candidate compounds. The targets and diseases related to molecular compounds were found through the TCMSP, the biological pathways related to targets were found through CTD online analysis platform. Result The 33 candidateactive molecules, 230 corresponding targets and 319 related diseases were obtained through network pharmacology screning. The components with higher degree value included quercetin and luteolin. The top three targets were PTGS1, PTGS2 and HSP90, these targets can joint in 30 pathways, such as pathways in cancer、immune system, calcium signaling. And these compounds may play a role in cancer, cardiovascular disease, inflammatory diseases. Conclusion The results preliminarily verify the activity components and pharmacology mechanism of Scutellaria Barbata-Hedyotis diffusa Pair, and provides a good foundation for further study on the mechanism of action.
[中圖分類號]
R962.2;R285.5
[基金項(xiàng)目]
漯河市工程技術(shù)研究中心(漯科[2018]88號),漯河市創(chuàng)新型科技團(tuán)隊(duì)(漯科[2018]88號)