湖南中医药大学学报2024，Vol.44Issue(8)：1373-1384,12.DOI:10.3969/j.issn.1674-070X.2024.08.004
基于指纹图谱和网络药理学预测丹楂通脉丸药效物质基础
Predicting the pharmacodynamic material basis of Danzha Tongmai Pill based on fingerprint and network pharmacology
摘要
Abstract
Objective To establish the fingerprint of Danzha Tongmai Pill(DZTMP),and to analyze the contribution rate of chromatographic peaks using chemometrics,and predict its pharmacodynamic material basis combined with network pharmacology methods.Methods Using a Agilent C18 chromatographic column(250 mm×4.6 mm,5 μm)with a detection wavelength of 280 nm,a mobile phase of 0.1%phosphoric acid water-acetonitrile,a flow rate of 1.0 mL·min-1,and gradient elution,the fingerprint of the methanol extract of DZTMP was established.Using network pharmacology to screen relevant component targets and pathways,a"component-target-pathway"network was constructed,and molecular docking verification was performed on the potential pharmacodynamic materials and key targets of DZTMP.The anti-inflammatory activity of potential pharmacodynamic materials was verified through in vitro experiments.Results Among the fingerprint spectra of 10 batches of samples,there were 15 common peaks,with two characteristic peaks identified as salvianolic acid B and salvianolic acid A.Network pharmacology analysis indicated that salvianolic acid B and salvianolic acid A were the active components responsible for the efficacy of DZTMP,and they were predicted to be the main pharmacodynamic material basis of the medicine.In vitro cell experiments demonstrated that,compared with the model group,the NO release in the high-,medium-,and low-dose salvianolic acid B groups was significantly reduced(P<0.01),and the NO release in the high-dose salvianolic acid A group was also significantly decreased(P<0.01),indicating certain anti-inflammatory activity.Conclusion Predicting the pharmacodynamic material basis of DZTMP through fingerprint spectra and network pharmacology provides a scientific basis for the comprehensive control and evaluation of the quality of DZTMP.关键词
丹楂通脉丸/高效液相色谱/指纹图谱/网络药理学/分子对接/药效物质Key words
Danzha Tongmai Pill/HPLC/fingerprint/network pharmacology/molecular docking/pharmacodynamic mate-rials分类
医药卫生引用本文复制引用
刘辉,张恒,陶叶琴,聂格,欧阳文..基于指纹图谱和网络药理学预测丹楂通脉丸药效物质基础[J].湖南中医药大学学报,2024,44(8):1373-1384,12.基金项目
湖南省普通高等学校教学改革研究项目(HNJG-2021-0577) （HNJG-2021-0577）
湖南中医药大学中药学一流建设学科项目(校行科字[2018]3 号) （校行科字[2018]3 号）
湖南省中医药管理局基金项目(B2024135) （B2024135）
湖南中医药大学校级科研基金项目(2022XYLH071). （2022XYLH071）
