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成分 － 靶点 － 代谢模式分析丹参的质量标志物及初步验证
摘要:
目的 基于“成分 － 靶点 － 代谢”分析模式，筛选并验证丹参中潜在的质量标志物( Q － marker) 。方法 基于文献整合及数据分析对丹参 Q － marker 的来源范围进行筛选，构建“成分 － 靶点 － 通路”的网络药理学模型; 采用 HPLC 进行丹参饮片指纹图谱指认和定量分析，结合网络药理学结果，初步确定丹参 Q － marker，再通过 UPLC － MS 法鉴别丹参入血成分并进行体内验证。结果 丹参酚酸类和酮类成分为丹参 Q － marker 的主要来源范围; 丹参酮ⅡA、隐丹参酮、咖啡酸在“成分 － 靶点 － 通路”网络中具有高连接度，是其主要活性成分; 15 批丹参饮片的 HPLC 指纹图谱中指认了 6 个色谱峰，分别为丹酚酸 B、迷迭香酸、紫草酸、丹参酮Ⅰ、隐丹参酮和丹参酮ⅡA; 丹酚酸 B、隐丹参酮、丹参酮ⅡA 可作为丹参的 Q － marker，进一步确认这 3 个入血成分为潜在的药效活性成分。结论 确定了丹酚酸 B、隐丹参酮及丹参酮ⅡA 作为丹参潜在 Q － marker 具有较高的合理性，为完善丹参的质量控制和评价方法提供了依据。
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1. 1 仪器、试药与动物
……丹酚酸 B、丹参酮ⅡA、迷迭香酸、紫草酸、隐丹参酮、丹参酮Ⅰ等对照品( 成都德思特生物科技有限公司，纯度均 ＞ 98% )……
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DOI: 10． 13375 /j． cnki． wcjps． 2022． 05． 009
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Journal of Chromatography A
Contents lists available at ScienceDirect
journal homepage: www.elsevier.com/locate/chroma
Published: 27 April 2021
Abstract
Due to the tremendous clinical value, more and more Traditional Chinese Medicines (TCMs) and their。formulae are attracted by world’s attention. QiangHuoShengShi (QHSS) decoction is one of classic TCM。formulae, which is clinically used for treating various rheumatic diseases. However, the phytochemical。constituents of QHSS have rarely been reported. A simple, intelligent, and comprehensive strategy was。developed to characterize the phytochemical-fingerprint and quantify the chemical-markers for precise。quality evaluation of QHSS. Firstly, a new deep-learning assisted mass defect filter (MDF) method was built for rapid and accurate classification of mass spectrum (MS) ions acquired by ultra-high performanceliquid chromatography quadrupole time of flight tandem mass spectrometry (UHPLC-Q-TOF/MS). Subse-quently, herb species-specific chemical-category and characteristic identification were used for further characterization of multi-components. As the result, seven major types of compounds in QHSS were in-telligently differentiated and 183 phytochemical compounds were tentatively identified. Finally, a sensi-tive scheduled multiple reaction monitoring (sMRM) detection method was applied to precisely quantify 37 target analytes in QHSS decoction. This integrated strategy would provide an alternative method for chemical-material basis study of more herbal medicine or natural products.
Authentic standards including protocatechuic acid, neochloro-genic acid, chlorogenic acid, cryptochlorogenic acid, caffeic acid,umbelliferone, scopoletin, prim-O-glucosylcimifugin, ferulic acid,agnuside, 10-O-vanilloylaucubin, liquiritin, isoferulic acid, liquir-itin apioside, cimifugin, 4´-O-β-D-glucosyl-5-O-methylvisamminol,isochlorogenic acid C, isoliquiritin apioside, isoliquiritin, liquiritigenin, ononin, formononetin, columbianetin, oxypeucedanin hy-drate, sec-O-glucosylhamaudol, psoralen, isoliquiritigenin, casticin,senkyunolide A, notopterol, imperatorin, phellopterin, neocnidilide,ligustilide, osthole, isoimperatorin, columbianadin, and glycyrrhizicacid were purchased from Chengdu Desite Bio-Technology Co., Ltd(Chengdu, China). The purity of the above standards was higherthan 98%.
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Frontiers in pharmacology-17 June 2020 geniposidic acid
Standard substances such as geniposidic acid, neochlorogenic acid, chlorogenic acid, caffeic acid, geniposide, genipin, pinoresinol di-o-glucopyranoside, syringaresinol di-o-glucopyranoside, isochlorogenic acid A, pinoresinol o-glucopyranoside, and isochlorogenic acid C were purchased from Chengdu Desite Bio-Technology Co., Ltd (Chengdu, China).
原文地址：https://www.frontiersin.org/articles/10.3389/fphar.2020.00838/full
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Frontiers in pharmacology-17 June 2020
期刊名：Frontiers in pharmacology文献编号：https://doi.org/10.3389/fphar.2020.00838文献地址：https://www.frontiersin.org/articles/10.3389/fphar.2020.00838/full发表日期：17 June 2020Standard substances such as geniposidic acid, neochlorogenic acid, chlorogenic acid, caffeic acid, geniposide, genipin, pinoresinol di-o-glucopyranoside, syringaresinol di-o-glucopyranoside, isochlorogenic acid A, pinoresinol o-glucopyranoside, and isochlorogenic acid C were purchased from Chengdu Desite Bio-Technology Co., Ltd (Chengdu, China).
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Caffeic Acid, an Allelochemical in Artemisia argyi……
Artemisia argyi is widely distributed in Asia, and it often becomes the dominant population in the field because of its strong ecological niche competitiveness. Allelochemicals secreted by plants are generally considered an important reason for their dominance in ecological competition. In this study, the allelochemicals in A. argyi were screened by a series of experiments and their mechanisms were explored via transcriptomics. First, the inhibitory effects of A. argyi on Echinochloa crusgalli, Setaria viridis, Portulaca oleracea and Amaranthus retroflexus were evaluated. Then, we carried out a qualitative and quantitative analysis of the chemical composition of the aqueous extract of A. argyi to screen for potential allelochemicals that can inhibit weed growth. Four potential allelochemicals were quantified: neochlorogenic acid (5-CQA), chlorogenic acid (3-CQA), cryptochlorogenic acid (4-CQA), and caffeic acid (CA). …………
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Materials and Methods
Plant Materials and Chemicals
……Neochlorogenic acid (5-CQA, 99.6%), chlorogenic acid (3-CQA, 99.5%), cryptochlorogenic acid (4-CQA, 98.7%), and caffeic acid (CA, 99.7%) were provided by Chengdu Desite Bio-Technology Co., Ltd. (Chengdu, China). …………
原文链接：https://doi.org/10.3389/fpls.2021.802198
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