文献类型：期刊文献

中文题名：基于主成分分析降维-指纹图谱相似度约束的满意度函数值筛选二仙汤复合促渗剂

英文题名：Screening of Erxian Decoction composite penetration enhancers based on satisfaction function value constrained by principal component analysis dimensionality reduction-fingerprint similarity

作者：张敏[1,2,3,4];潘志杰[1,2,3];王晓琦[1,2,3];武晓玉[1,2,3];刘晓霞[1,2,3];魏舒畅[1,2,3]

第一作者：张敏

机构：[1]甘肃中医药大学,甘肃兰州730000;[2]甘肃省中药制药工艺工程研究中心,甘肃兰州730000;[3]陇药产业创新研究院,甘肃兰州730000;[4]甘肃医学院,甘肃平凉744000

第一机构：甘肃中医药大学

年份：2026

卷号：57

期号：7

起止页码：2501

中文期刊名：中草药

外文期刊名：Chinese Traditional and Herbal Drugs

收录：;北大核心:【北大核心2023】；

基金：国家自然科学基金资助项目(8206140176)。

语种：中文

中文关键词：二仙汤;促渗剂;主成分分析;指纹图谱相似度;满意度函数;体外透皮;黄柏碱;芒果苷;阿魏酸;小檗碱;仙茅苷;朝藿定A1;朝藿定A;朝藿定B;朝藿定C;淫羊藿苷;薄荷脑;氮酮;冰片

外文关键词：Erxian Decoction;penetration enhancer;principal component analysis;fingerprint similarity;desirability function;in vitro transdermal permeation;phellodendrine;mangiferin;ferulic acid;berberine;curculigoside;epimedin A1;epimedin A;epimedin B;epimedin C;icariin;menthol;azone;borneol

摘要：目的构建一种适用于中药复方透皮促渗剂筛选的评价体系,并将其用于二仙汤复合促渗剂的优选。方法以薄荷脑、氮酮、冰片为促渗剂,设计L9(3~3)正交试验。测定10个指标成分(黄柏碱、芒果苷、阿魏酸、小檗碱、仙茅苷、朝藿定A1、朝藿定A、朝藿定B、朝藿定C、淫羊藿苷)的48 h单位面积累积渗透量(Q48)、稳态渗透速率(steady-state flux,Jss)与增渗比,利用主成分分析(principal component analysis,PCA)对多维渗透参数进行降维处理,同时引入指纹图谱相似度(S)作为质量约束条件。将上述主成分得分与指纹图谱相似度通过满意度函数进行加权整合,计算综合满意度(D),并以D作为响应值进行极差和方差分析,筛选最佳促渗剂配方。结果筛选得到最优复合促渗剂配方为2%薄荷脑、1%氮酮。验证实验表明,该组成在具备卓越促渗效果的同时,指纹图谱相似度S保持在0.9以上,兼顾“高效促渗”和“质量保真”。结论构建的“PCA降维-指纹图谱约束-满意度函数整合”系统,能够有效解决多指标优化中信息冗余与决策矛盾的问题,为中药复方复合促渗剂筛选提供可借鉴的研究范式。
Objective This study aimed to establish an evaluation system for screening transdermal penetration enhancers suitable for traditional Chinese medicine(TCM)compound formulations and to apply it to the optimization of a composite penetration enhancer for Erxian Decoction(EXD,二仙汤二仙汤).Methods Menthol,azone,and borneol were selected as penetration enhancers,and an L9(33)orthogonal design was employed.The 48 h cumulative permeation per unit area(Q48),steady-state flux(Jss),and enhancement ratio(ER)of ten marker components(phellodendrine,mangiferin,ferulic acid,berberine,curculigine,epimedin A1,epimedin A,epimedin B,epimedin C,icariin)were measured.Principal component analysis(PCA)was performed separately for Q48 and Jss datasets to reduce dimensionality,while fingerprint similarity(S)was incorporated as a quality constraint.The PCA scores and S were weighted and integrated via the satisfaction function to calculate the comprehensive satisfaction(D).With D as the response value,range analysis and analysis of variance were performed to screen the optimal formulation of penetration enhancers.Results The optimal compound penetration enhancer formulation was identified as 2%menthol combined with 1%azone.Validation studies showed that this formulation exhibited excellent penetration-enhancing effect,while the fingerprint similarity S remained above 0.9,achieving both“high-efficiency penetration enhancement”and“quality fidelity”.Conclusion The constructed“PCA dimension reduction-fingerprint constraint-satisfaction function integration”system can effectively solve the problems of information redundancy and decision contradiction in multi-index optimization,providing a referable research paradigm for screening composite penetration enhancers of TCM compound prescriptions.