摘要
辅料炮制是中药炮制的重要组成部分,其科学内涵解析是一个亟待解决的关键科学问题。在现代中药物质成分构成基本清晰的基础上,本文将化学信息学的技术和方法应用到辅料炮制机制研究中。收集酒、醋、盐、蜜4种辅料炮制中药饮片的相关信息,包括性味、归经、化学成分等。采取化学信息学手段计算各化学成分相应的分子描述符和骨架,表征成分的性质和结构特征,并且通过多元统计分析和Murcko骨架分析挖掘酒、醋、盐、蜜4种辅料关联的特征组分。进一步以蜜炙黄芪为例,聚焦炮制辅料蜜对其特征药效组分(异黄酮组分)溶解度和渗透性的影响,发现辅料蜜可增加其溶解度和渗透性,明确炮制辅料对生物药剂学分类性质的影响是阐明辅料炮制机制的关键突破口。综上,本文基于组分构成特征解析了炮制辅料“酒醋盐蜜”关联的特征组分,为从生物药剂学角度解析炮制机制提供数据支撑。
The excipient processing is an essential part of traditional Chinese medicine processing,and understanding its scientific connotations is a critical scientific issue that urgently needs resolution.Building upon a foundation where the composition of traditional Chinese medicine substances is fundamentally clear,this paper applies the techniques and methods of chemoinformatics to the study of the excipient processing mechanism.Relevant information on traditional Chinese medicines processed with four kinds of excipients(wine,vinegar,salt and honey)was collected,including properties,taste,meridian tropism,chemical components,etc.Molecular descritors and skeletons corresponding to each chemical component were calculated using chemoinformatics to characterize the properties and structural features of the components.Characteristic components associated with the four excipients(wine,vinegar,salt and honey)were explored through multivariate statistical analysis and Murcko skeleton analysis.Further analysis,taking honey-processed Astragali Radix as an example,the focus was on the impact of the processing excipient honey on the solubility and permeability of its characteristic pharmacologically active components(isoflavones).It was discovered that the excipient honey can increase their solubility and permeability,emphasizing that the impact of processing excipients on the pharmacological classification properties is a key breakthrough in elucidating the mechanism of excipient processing.In summary,this study analyzed the characteristic components associated with the processing excipients"wine,vinegar,salt and honey"based on their composition characteristics,providing data support for the research on the mechanism of excipient processing from a biopharmaceutical perspective.
作者
张玮烨
曾敬其
宋金菁
齐天昊
封亮
贾晓斌
杨冰
ZHANG Wei-ye;ZENG Jing-qi;SONG Jin-jing;QI Tian-hao;FENG Liang;JIA Xiao-bin;YANG Bing(School of Traditional Chinese Pharmacy,China Pharmaceutical University,Nanjing 211198,China)
出处
《药学学报》
CAS
CSCD
北大核心
2024年第6期1819-1827,共9页
Acta Pharmaceutica Sinica
基金
国家自然科学基金资助项目(82204626)
江苏省“卓博计划”项目(2022ZB317).
关键词
中药
炮制
辅料
特征组分
生物药剂学
化学信息学
蜜炙黄芪
异黄酮
traditional Chinese medicine
processing
excipient
characteristic component
biopharmaceutics
chemoinformatics
honey-processed Astragali Radix
isoflavone
