首页|炮制辅料"酒醋盐蜜"关联的特征组分解析及其应用:以蜜炙黄芪为例

炮制辅料"酒醋盐蜜"关联的特征组分解析及其应用:以蜜炙黄芪为例

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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。
Analysis and application of the characteristic components associated with the processing excipients"wine,vinegar,salt,honey":a case study of honey-processed Astragali Radix
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.

traditional Chinese medicineprocessingexcipientcharacteristic componentbiopharmaceuticschemoinformaticshoney-processed Astragali Radixisoflavone

张玮烨、曾敬其、宋金菁、齐天昊、封亮、贾晓斌、杨冰

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中国药科大学中药学院,江苏南京 211198

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

国家自然科学基金资助项目江苏省"卓博计划"项目

822046262022ZB317

2024

药学学报
中国药学会 中国医学科学院药物研究所

药学学报

CSTPCD北大核心
影响因子:1.274
ISSN:0513-4870
年,卷(期):2024.59(6)
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