天津大学学报2025,Vol.58Issue(2) :138-146.DOI:10.11784/tdxbz202401006

基于SVR模型的MIV法的复方苦参抗菌成分的辨识研究

Identification of Antibacterial Components from Compound Sophora Flavescens Extract by Mean Impact Value Based on Support Vector Regression

蒋建兰 庞汐伦 冯佳 赵腾飞
天津大学学报2025,Vol.58Issue(2) :138-146.DOI:10.11784/tdxbz202401006

基于SVR模型的MIV法的复方苦参抗菌成分的辨识研究

Identification of Antibacterial Components from Compound Sophora Flavescens Extract by Mean Impact Value Based on Support Vector Regression

蒋建兰 1庞汐伦 1冯佳 1赵腾飞2
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作者信息

  • 1. 天津大学系统生物工程教育部重点实验室,天津 300350;天津大学化工学院,天津 300350
  • 2. 天津大学化工学院,天津 300350
  • 折叠

摘要

由苦参、蛇床子、黄柏和白鲜皮四味中药材组成的复方苦参外用洗剂,因其抗菌效果而广泛应用于临床.然而,目前尚不明确复方苦参洗剂中哪些成分对于抗菌是显著有效的.本文以复方苦参洗剂为研究对象,应用化学计量法建立复方苦参中化学成分与其对金黄色葡萄球菌抑制活性之间的组效关系模型,并通过支持向量回归(SVR)的平均影响值(MIV)法识别出复方苦参中作用显著的抑菌成分.采用 HPLC-UV 法建立复方苦参醇提物的指纹图谱的检测方法,用该检测方法检测了 43 批次不同配方或不同提取工艺得到的复方苦参醇提物,并采用内标法对 43 批次样品中 35 个共有峰进行了定量分析,采用 UPLC-MS/MS 对共有峰进行了定性分析.采用分光光度法测定了该 43 批次样品对金黄色葡萄球菌的抑制率,然后利用 PSO-SVR 模型建立各成分与抗菌效果的组效关系模型.在该 PSO-SVR 模型的基础上,采用平均影响值法识别出复方苦参洗剂中抑菌效果显著的成分.结果表明,显著抑菌活性成分为异苦参酮、非洲防己碱、小檗碱、异茴芹内酯、苦参新醇 O、黄柏碱、木兰花碱、苦参酮和蛇床子素,这些成分的抑菌作用均有文献报道.本文抑菌活性成分的识别结果可为今后抑菌药物的研发提供参考.

Abstract

The compound Sophora flavescens lotion for external use,which is composed of extracts from Sophora flavescens,Fructus cnidii,Phellodendron amurense,and Cortex platycladi,has been widely used in clinics be-cause of its antibacterial properties.However,it is unclear which components have the most significant antibacterial activity.In this study,the composition-activity relationship between the chemical constituents of compound Sophora flavescens and its antimicrobial activity against Staphylococcus aureus was established using chemometrics,and sig-nificant antibacterial components were identified by mean impact value(MIV)method based on support vector regres-sion(SVR).The fingerprint of the compound Sophora flavescens extract was established by HPLC-UV.A total of 43 batches of compound Sophora flavescens alcohol extracts obtained from different formulations or extraction processes were detected.A total of 35 common peaks in 43 batches of the samples were quantitatively analyzed by the internal standard method and qualitatively analyzed by UPLC-MS/MS.Additionally,the antibacterial rates of samples against S.aureus were determined by ultraviolet-visible spectrophotometry.The PSO-SVR model was used to establish the relationship between the components and antibacterial activities.Based on this model,the MIV method was used to identify the components with significant antibacterial effects.The result showed that the components with significant antibacterial activities were isokurarinone,columbamine,berberine,isopimpinellin,kushenol O,phello-dendrine,magnoflorine,kurarinone,and osthole.The bacteriostatic effects of these components have been reported in previous studies.The results of this study can provide a baseline for future development of antibacterial drugs.

关键词

复方苦参/抗菌活性/组效关系/化学计量学/活性成分识别

Key words

compound Sophora flavescens/antibacterial activity/composition-activity relationship/chemomet-rics/identification of active components

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出版年

2025
天津大学学报
天津大学

天津大学学报

CSTPCDCSCD北大核心
影响因子:0.793
ISSN:0493-2137
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