中草药2026，Vol.57Issue(7)：2501-2511,11.DOI:10.7501/j.issn.0253-2670.2026.07.007
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
Screening of Erxian Decoction composite penetration enhancers based on satisfaction function value constrained by principal component analysis dimensionality reduction-fingerprint similarity
摘要
Abstract
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).Methods Menthol,azone,and bomeol 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.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/冰片分类
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张敏,潘志杰,王晓琦,武晓玉,刘晓霞,魏舒畅..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[J].中草药,2026,57(7):2501-2511,11.基金项目
国家自然科学基金资助项目(8206140176) （8206140176）
