文献类型：期刊文献

中文题名：基于多维特征融合的消定膏质量标志物综合辨析

英文题名：Comprehensive analysis of quality markers for Xiaoding ointment based on multi-dimensional feature fusion

作者：常登玺[1];李文霞[1];戴浩恩[1];张岩[1];常承东[1]

第一作者：常登玺

机构：[1]甘肃中医药大学附属医院制剂中心,兰州730020

第一机构：甘肃中医药大学第二附属医院

年份：2026

卷号：30

期号：1

起止页码：12

中文期刊名：药学前沿

外文期刊名：China Pharmacist

基金：国家自然科学基金地区科学基金项目(82360944);甘肃省科技计划项目(25JRRA239);兰州市科技计划项目(2025-2-201);甘肃省药品科研项目(2025GSMPA051);敦煌医学与转化教育部重点实验室开放基金项目(DHYX18-20)。

语种：中文

中文关键词：消定膏;多维特征网络;质量标志物;成分分析;分子对接;质量控制;药理作用

外文关键词：Xiaoding ointment;Multi-dimensional feature network;Quality marker;Component analysis;Molecular docking;Quality control;Pharmacological effects

摘要：目的基于中药质量标志物(Q-Marker)的理论框架,系统辨析消定膏中的关键Q-Marker。方法整合文献资料及检索HERB、TCMSP、ETCM等化学成分数据库,构建消定膏中主要化学成分群;有效性层面,采用网络药理学方法构建“化学成分-疾病-靶点-通路”多维互作网络,揭示消定膏多组分协同、多靶点调控、多通路整合的作用机制;传递与溯源层面,通过查阅体外释放及透皮吸收相关文献,筛选由复方制剂可以经皮吸收的化合物;特有性层面,筛选复方组成的各味药材中的特征性成分,并结合该复方的配伍环境对化合物进行归属分析。可测性层面,根据《中国药典(2025年版)》和相关文献资料,获得各味药材的可测性成分。结果大黄酚、表儿茶素、儿茶素、大黄酸、芦荟大黄素、大黄素、大黄素甲醚、大黄酚-8-O-β-D-葡萄糖苷、大黄酚-1-O-β-D-葡萄糖苷、大黄素甲醚-8-O-葡萄糖苷的综合回归面积较高,可以作为消定膏中潜在的Q-Marker,并经分子对接验证,其与消定膏功能主治核心靶点均具有较好的结合能力。结论本研究结果为消定膏的整体质量控制和临床应用提供一定参考。
Objective Based on the theoretical framework of quality marker(Q-Marker)of traditional Chinese medicine(TCM),to comprehensively identify the key Q-Marker in Xiaoding ointment.Methods The main chemical ingredient groups in Xiaoding ointment were determined by integrating literature data and relevant chemical ingredient databases such as HERB,TCMSP,and ETCM.For the effectiveness dimension,a network pharmacology approach was employed to construct a multi-dimensional interaction network("chemical ingredients-disease-target-pathway")to elucidate the multi-ingredient synergistic,multi-target regulatory,and multi-pathway integrated mechanisms of Xiaoding ointment.In the dimension of transmission and traceability,compounds with potential transdermal permeability were screened based on in vitro release studies and dermal absorption-related literature.For the specificity dimension,characteristic ingredients of each medicinal herb in the compound formula were selected,followed by compound attribution analysis considering the compatibility environment of the multi-herb system.According to the Chinese Pharmacopoeia(2025 edition)and relevant literature,measurable components of each medicinal herb were obtained.Results The comprehensive regression areas of chrysophanol,epicatechin,catechin,rhein,aloe-emodin,emodin,physcion,chrysophanol 8-O-beta-D-glucoside,chrysophanol 1-O-beta-D-glucoside and physcion 8-O-beta-D-glucopyranoside were relatively high.These substances could be regarded as potential Q-Marker in Xiaoding ointment.Molecular docking verification indicated that they all exhibited strong binding affinity with the core targets related to the main functions and indications of Xiaoding ointment.Conclusion The findings of this research provide a valuable reference for the overall quality control and clinical application of Xiaoding ointment.