扬州大学学报（农业与生命科学版）2023，Vol.44Issue(6)：91-102,12.DOI:10.16872/j.cnki.1671-4652.2023.06.012
基于UPLC-Q-TOF-MS与网络药理学的锦灯笼配方颗粒抗炎、抗肿瘤有效成分的研究
Study of anti-inflammatory and anti-tumor active ingredients in Physalis Calyx Seu Fructus formula granules based on UPLC-Q-TOF-MS and network pharmacology
摘要
Abstract
To explore the effective components of Physalis Calyx Seu Fructus formula granules and their anti-inflammatory,anti-tumor mechanisms.UPLC-Q-TOF-MS was used to analyze the components in the ethanol extract of Physalis Calyx Seu Fructus formula granules.Targets corresponding to the anti-inflammatory and anti-tumor effect of Physalis Calyx Seu Fructus formula granules were screened and the key protein-protein interaction(PPI)network and active ingredients-tar-get genes network were constructed.GO and KEGG pathway enrichment analysis of key targets were performed and the molecular docking verification was performed with AutoDock.The results showed that a total of 36 compounds including organic acids,flavonoids,coumarins,and steroids were identified.PPI analysis found that TNF,AKT1,IL1β,etc.were core anti-inflammatory targets,and AKT1,EGFR,TNF,etc.were core anti-tumor targets.GO enrichment analysis found that core targets involved in acute viral myocarditis,cancer and other signal pathways played an anti-inflammatory and anti-tumor role.The results of molecular docking showed the low docking energy of luteolin,quercetin,physalin G,ferulic acid,esculetin with 8 core targets.In summary,this study elaborated the active components,and anti-inflammato-ry,anti-tumor mechanisms of Physalis Calyx Seu Fructus formula granules preliminarily based on UPLC-Q-TOF-MS analysis,network and molecular docking,laying a foundation for the basic research on the pharmacodynamic substances of Physalis Calyx Seu Fructus formula granules and providing a reference for quality control and clinical use.关键词
锦灯笼/化学成分/网络药理学/分子对接/HPLC-Q-TOF-MSKey words
Physalis Calyx Seu Fructus/formula granules/network pharmacology/molecular docking/HPLC-Q-TOF-MS分类
农业科技引用本文复制引用
王玥琛,曹桂云,孟兆青,王岱杰,林永强,董晓弟,崔伟亮,刘洪超,郭冬晓..基于UPLC-Q-TOF-MS与网络药理学的锦灯笼配方颗粒抗炎、抗肿瘤有效成分的研究[J].扬州大学学报（农业与生命科学版）,2023,44(6):91-102,12.基金项目
山东省重点研发计划重大科技创新工程项目(2021CXGC010511) （2021CXGC010511）
泉城产业领军人才计划项目(2020-10) （2020-10）
泉城"5150"引才倍增计划项目(2021-08) （2021-08）
