A等活性化合物在整個網(wǎng)絡中發(fā)揮著關鍵作用;分子對接結果顯示,木犀草素、丹參酮ⅡA與6個核心靶蛋白均具有較好的親和力(結合能遠小于-5 kJ/mol)。結論 丹參的主要活性化合物,包括木犀草素、丹參酮ⅡA等,可作用于AKT1、IL6、FOS、VEGFA、MAPK1、EGFR等核心靶點,共同參與調節(jié)PI3K-AKT等多條信號通路,發(fā)揮抑制細胞凋亡、抗炎、神經(jīng)保護等作用,可能是丹參治療CIS的潛在機制。;Objective To screen the key compounds, targets, biological functions and signal pathways of Salviae miltiorrhizae in treatment of cerebral ischemic stroke by using network pharmacology and molecular docking techniques, and to analyze the possible mechanism of action. Methods TCMSP database was emaployed to search for the active ingredients and targets of Salviae miltiorrhizae, as well as the targets of CIS were obtained in GeneCards, NCBI and OMIM database. Then drug targets and disease targets were overlapped, and put into STRING database to establish a protein interaction network. Moreover, drug-compound-targetdisease network was constructed and GO function and KEGG pathway enrichment analysis were carried out in Bioconductor. With the aid of AutoDock Tools 1.5.6 and AutoDock vina 1.1.2, the key active ingredients and core targets were docked at molecular level, and the results were visualized by using Pymol and Ligplot software. Results A total of 65 active ingredients and 108 targets were selected out from Salviae miltiorrhizae, and 2 558 targets were collected related to CIS. After intersection, 87 targets were obtained, among which the degree value of 6 targets was greater than 50, including AKT1, IL6, FOS, VEGFA, MAPK1, EGFR, as the core targets of this study. A total of 124 GO entries and 134 signal pathways were identified, with the PI3K/AKT signal pathway occupying the largest number of targets. The results showed that luteolin and tanshinone ⅡA played a key role in the drug-compoundtarget-disease network and well connected to six core targets (binding energy is much less than -5 kJ/mol). Conclusion The main active compounds of Salviae miltiorrhizae, such as luteolin, tanshinone ⅡA, could target for AKT1, IL6, FOS, VEGFA, MAPK1, EGFR, and participated in the regulation of PI3K/AKT signaling pathway and many other pathways, responsible for anti-apoptosis, antiinflammatory, neuroprotection and other biological functions, that may be potential mechanisms of Salvia miltiorrhiza in treatment of CIS."/> A;network pharmacology;molecular docking;Salviae miltiorrhizae Bge.;cerebral ischemic stroke;PI3K/AKT signaling pathway;luteolin;tanshinone ⅡA"/>

醉酒后少妇被疯狂内射视频,一本色道久久综合一,在线天堂新版资源www在线下载,中文字幕乱人伦高清视频,中字幕视频在线永久在线观看免费

首頁 > 過刊瀏覽>2021年第44卷第2期 >2021,44(2):344-355. DOI:10.7501/j.issn.1674-6376.2021.02.013
上一篇 | 下一篇

基于網(wǎng)絡藥理學和分子對接技術探討丹參治療缺血性腦卒中的作用機制

Mechanism of Salviae miltiorrhizae in treatment of cerebral ischemic stroke based on network pharmacology and molecular docking techniques

發(fā)布日期:2021-02-03
您是第位訪問者
藥物評價研究 ® 2025 版權所有
技術支持:北京勤云科技發(fā)展有限公司
津備案:津ICP備13000267號 互聯(lián)網(wǎng)藥品信息服務資格證書編號:(津)-非經(jīng)營性-2015-0031