大连工业大学学报2024，Vol.43Issue(4)：235-245,11.DOI:10.19670/j.cnki.dlgydxxb.2024.0401
基于网络药理学及分子对接的人参皂苷调控肿瘤免疫物质基础
Ginsenoside regulation of tumor immunotherapy substances based on network pharmacology and molecular docking
摘要
Abstract
Ginsenosides possess chemical diversity and the enhancement of tumor immunotherapy cognition is not systematic,so it is necessary to systematically reveal the basis and mechanism of ginsenosides enhancing tumor immunotherapy substance.Using network pharmacology and molecular docking methods,the database of ginsenoside chemical components was constructed to screen the active ingredients and regulate the potential mechanism of tumor immunity.The experimental results showed a total of 414 ginsenosides were collected,among which 57 ginsenosides were with potentially active.The target prediction results showed that were 139 intersection targets of 57 ginsenosides and tumor immunity.577 GO items and 145 KEGG pathways were obtained by GO and KEGG pathway enrichment analysis.Molecular docking results showed that ginsenoside Rh3 and RORC,20(S)-Rg3 and VEGFA showed strong binding activities depending on hydrogen bonding force,with binding energies of-11.003 and-8.849 kJ/mol,respectively.The results of mechanism analysis showed 139 intersection targets act on PI3K/Akt,Jak/Stat,MAPK related pathways to regulate tumor immunity.关键词
人参皂苷/肿瘤免疫/网络药理学/分子对接Key words
ginsenosides/tumor immunotherapy/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
赵鹏辉,王彬,李伟,叶淑红,丁燕..基于网络药理学及分子对接的人参皂苷调控肿瘤免疫物质基础[J].大连工业大学学报,2024,43(4):235-245,11.基金项目
辽宁省自然科学基金面上项目(2021-MS-299). （2021-MS-299）
