中国畜牧兽医2024，Vol.51Issue(8)：3552-3565,14.DOI:10.16431/j.cnki.1671-7236.2024.08.032
基于谱效关联分析和网络药理学研究连蒲双清散药效物质及作用靶点
Study on the Pharmacodynamic Substances and Targets of Lianpu Shuangqing Powder Based on Spectrum-effect Relationship Analysis and Network Pharmacology
摘要
Abstract
[Objective]The spectrum-effect correlation analysis of the anti-inflammatory and bacteriostatic properties of Lianpu Shuangqing powder was constructed based on experimental design,and its pharmacological substance basis and mechanism of action were revealed through the integration of network pharmacology and in vitro and in vivo experiments.[Method]The L9(34)orthogonal experiment was devised incorporating the proportion of Coptidis Rhizoma and Taraxaci herba,the extracted acid concentration and the ethanol concentration,resulting in nine pairs of extracts of Lianpu Shuangqing powder.HPLC was utilized to establish fingerprints for each extract.An in vitro pharmacodynamic analysis of anti-inflammatory and bacteriostatic effects was conducted utilising lipopolysaccharide(LPS)-induced inflammatory cytokines of mouse macrophages and bacteriostasis zone as pharmacodynamic evaluation indexes.The spectrum-effect relationship was established using the grey relational degree analysis and partial least squares regression analysis methods,which screened out the pharmacological substances responsible for its anti-inflammatory effects and bacteriostatic effects against Staphylococcus aureus.Pharmacodynamic constituents and targets were further identified through network pharmacology analysis.Lastly,in vivo experiment was used to verify the spectral and network pharmacology results.[Result]HPLC fingerprints identified nine common peaks and four components(chicoric acid,coptisine,epiberberine and palmatine).The results of orthogonal test showed that the components in Coptidis Rhizoma played a dominant role in the antibacterial effect against Staphylococcus aureus,while the role of Taraxaci herba in the anti-inflammatory efficacy was more obvious.Spectrum-effect analysis screened that epiberberine and coptisine were part of the pharmacological substance basis for the anti-inflammatory and antibacterial effects of the powder.Network pharmacology research revealed that epiberberine,palmatine,coptisine,luteolin and caffeic acid were the five components with the highest weights in the network.Interleukin-6(IL6)and tumor necrosis factor(TNF)were the two main anti-inflammatory and antibacterial targets.The docking results showed that the binding energies of five compounds to both target protein receptors were all below-5 kJ/mol,indicating a good binding affinity.In the mouse model of acute enteritis,histological sections revealed that the area of inflammatory cell infiltration in the colon of mice was significantly reduced after treatment with Lianpu Shuangqing powder.ELISA experiments showed a significant difference in the expression of inflammatory factors in colon of mice between the drug group and the model group(P＜0.05).[Conclusion]An integrated approach involving spectrum-effect correlation analysis based on experimental design and network pharmacology had effectively delineated that the primary pharmacological substances responsible for the anti-inflammatory effects and bacteriostatic effects against Staphylococcus aureus in Lianpu Shuangqing powder were coptisine and epiberberine,with IL6 and TNF being the major target molecules.This study offered a significant exploration into the pharmacological substance basis and target actions of compound traditional Chinese medicines.关键词
连蒲双清散/试验设计/谱效关系/抗炎抑菌/药效物质Key words
Lianpu Shuangqing powder/experimental design/spectrum-effect relationship/anti-inflammatory and bacteriostatic/pharmacodynamic substance分类
农业科技引用本文复制引用
齐小雨,刘星彤,孙一丹,候冉冉,李秋,刘志海,刘聪敏..基于谱效关联分析和网络药理学研究连蒲双清散药效物质及作用靶点[J].中国畜牧兽医,2024,51(8):3552-3565,14.基金项目
山东省自然科学基金项目(ZR2020QC198) （ZR2020QC198）
国家自然科学基金项目(82003922) （82003922）
山东省重点研发计划项目(2021CXGC011305、2022LYXZ030) （2021CXGC011305、2022LYXZ030）
青岛农业大学高层次人才科研启动基金项目(6631121042) （6631121042）
中国博士后科学基金项目(2021M701105) （2021M701105）
