遵义医科大学学报2023，Vol.46Issue(12)：1161-1170,10.
基于网络药理学和分子对接探讨多刺绿绒蒿中碎叶紫堇碱治疗氧化应激相关性疾病的作用机制
Exploring the mechanism of action of cheilanthifoline from Meconopsis horridu-la in the treatment of oxidative stress-related diseases based on network phar-macology and molecular docking
摘要
Abstract
Objective To detect the content of cheilanthifoline in Meconopsis horridula and explore the antioxi-dant activity of cheilanthifoline,and to explore the mechanism of action of cheilanthifoline through antioxidant ac-tion in the treatment of diabetes mellitus(DM),intracranial aneurysm(IA),chronic obstructive pulmonary dis-ease(COPD),and aneurysmal subarachnoid hemorrhage(aSAH)by using web-based pharmacological and mo-lecular docking techniques,which will provide a basis for the use of Meconopsis horridula in the treatment of oxi-dative stress-related diseases.Methods High-performance liquid chromatography-mass spectrometry(HPLC-MS/MS)was used to determine the content of cheilanthifoline in Meconopsis horridula;The antioxidant activity was determined by TLC-bioautography;online databases,such as SuperPred,Genecards and DisGeNET,were used to collect the target sites of cheilanthifoline and those for the treatment of DM,IA,COPD and aSAH,so as to con-struct a"compound-target-disease"and protein-interaction network for the treatment of diseases with cheilanthi-foline;KEGG pathway enrichment analysis was performed based on the Metascape database and CytoNCA plug-in;molecular docking of active ingredients with potential targets was performed to verify the binding activity using Discovery Studio 2019 Client software.Results The study showed that the content of cheilanthifoline in Meconopsis horridula was 0.113 7 μg/ml;TLC-bioautography showed that cheilanthifoline has antioxidant activity;34 core targets of cheilanthifoline for the treatment of the above four diseases were obtained by network pharmacological analysis;the results of the KEGG pathway showed that it was involved in 118 KEGG pathways such as cancer pathway,PI3K-Akt signaling pathway,and so on;and the results of molecular docking showed that cheilanthifo-line bound stably to SRC,RPS6KB1,ITGB1 and other proteins.Conclusion The relatively high content of chei-lanthifoline in Meconopsis horridula exerts antioxidant effects through multiple targets and pathways.关键词
多刺绿绒蒿/TLC-生物自显影法/网络药理学/液相色谱-质谱联用仪/碎叶紫堇碱Key words
Meconopsis horridula/TLC-bio-autoradiography assay/network pharmacology/liquid chromato-graph-mass spectrometer/cheilanthifoline分类
医药卫生引用本文复制引用
张琦,兰钧,阳勇,郭丽萍,张小梅,达娃卓玛,王云红,郭延垒,张成江..基于网络药理学和分子对接探讨多刺绿绒蒿中碎叶紫堇碱治疗氧化应激相关性疾病的作用机制[J].遵义医科大学学报,2023,46(12):1161-1170,10.基金项目
国家自然科学基金资助项目(NO:21765027) （NO:21765027）
国家重点研发计划项目(NO:2019YFC1712300) （NO:2019YFC1712300）
中国药品监管科学行动计划第二批重点项目(NO:NMPAJGKX-2023-082). （NO:NMPAJGKX-2023-082）
