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基于有效基准特征图谱质量表征的卷丹饮片质量评价研究
·中药质量评价研究专题·
范圆圆 李林福 李亚琪 黄玉娟 高园园 舒一崧 孔静 潘锋 孙仁弟 黄广伟 姜艳艳 石任兵环球中医药 2021 年 5 月第 14 卷第 5 期 Global Traditional Chinese Medicine,May 2021,Vol. 14,No. 5
【中图分类号】 R285.5 【文献标识码】 A doi: 10.3969 /j.issn.1674-1749.2021.05.001
【摘要】
目的 建立基于卷丹有效基准特征图谱的质量表征模式、方法与质量评价应用,以精准、有效地评价卷丹饮片质量。方法 以确定具有降血糖作用的卷丹饮片( 实验样品编号 S16)为饮片基准,以代表性成分王百合苷 C 及其含量为质量表征基准点,采用 HPLC-PDA 建立卷丹有效基准特征图谱。基于王百合苷 C 对照品模拟基准点的有效基准特征图谱质量表征信息作为评价卷丹饮片质量标尺,并对其准确性进行佐证及质量评价应用与验证。结果 以卷丹饮片( S16)为基准,以代表性成分王百合苷 C 为质量表征基准点( 保留时间: 16.200 分钟、 检测溶液浓度:0. 0774 mg /mL) ,通过制备王百合苷 C 对照品溶液模拟质量表征基准点,对卷丹有效基准饮片进行质量表征。以模拟基准点的基准信息得到卷丹有效基准特征图谱质量表征信息为: 特征峰数目、相对保留时间、相对峰面积及 5 个代表性成分( 王百合苷 C、王百合苷 A、王百合苷 E、王百合苷B 及卷丹皂苷[( 25R) -3β,17α-二羟基-5α-螺甾烷-6-酮-3-O-α-L-鼠李糖基-( 1→2) -β-D-葡萄糖苷]的相对含量,其中涵盖了卷丹降血糖药效架构中的两类主要化学类型: 酚类和甾体皂苷类。采用课题组前期构建的中药饮片质量评价模式及新建的质量基准标尺对 15 批卷丹饮片的质量进行评价得出: 饮片 S7,S11,S10,S12,S5,S13 和 S4 质量较优; 通过换算系数计算得到的 5 个代表性成分的含量与实际测定值基本一致。结论 建立的基于有效基准特征图谱的卷丹质量表征模式、方法能够整体、准确地对卷丹饮片进行质量表征,且可以有效、精准、便捷地评价卷丹饮片质量。
王百合苷 C 对照品( 批号: DST201027-076) ,王百合苷 A 对照品( 批号: DST201029-107) ,王百合苷 E 对照品( 批号: DST201027-075) ,王百合苷B 对照品( 批号: DST200602-071) ,均购自成都德思特生物技术有限公司,对照品纯度均≥98%;
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Neurochemical Research-14 May 2020
期刊名:Neurochemical Research文献编号:10.1007/s11064-020-03051-w文献地址:https://link.springer.com/article/10.1007/s11064-020-03051-w发表日期:14 May 2020
Abstract
Safflower yellow (SY) is the main effective component of Carthamus tinctorius L., and Hydroxysafflor yellow A (HSYA) is the single active component with the highest content in SY. SY and HSYA have been shown to have neuroprotective effects in several AD models. In this study, we aimed to clarify whether the effects of SY and HSYA on the learning and memory abilities of Aβ1-42-induced AD model rats are related to the enhancement of synaptic structural plasticity in brain tissues and the amelioration of disorder of glutamate circulation. We used rats injected with Aβ1-42 into the bilateral hippocampus as a model of AD. After treatment with SY and HSYA, the learning and memory abilities of the Aβ1-42-induced AD model rats were enhanced, Aβ deposition in the AD model rats was decreased, structural damage to dendritic spines and the loss of synaptic-associated proteins were alleviated, and the disorder of glutamate circulation was ameliorated. The results indicated that SY and HSYA improve synaptic structural plasticity by ameliorating the disorder of glutamate circulation in Aβ1-42-induced AD model rats.Hydroxysafor yellow A (HSYA purity>98%) was purchased from Chengdu DeSiTe Biological Technology Co., Ltd. (Sichuan, China).
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Study on Structure Activity Relationship of Natural Flavonoids against Thrombin by Molecular Docking Virtual Screening Combined with Activity Evaluation In Vitro
Thrombin, a key enzyme of the serine protease superfamily, plays an integral role in the blood coagulation cascade and thrombotic diseases. In view of this, it is worthwhile to establish a method to screen thrombin inhibitors (such as natural flavonoid-type inhibitors) as well as investigate their structure activity relationships. Virtual screening using molecular docking technique was used to screen 103 flavonoids. Out of this number, 42 target compounds were selected, and their inhibitory effects on thrombin assayed by chromogenic substrate method. The results indicated that the carbon-carbon double bond group at the C2, C3 sites and the carbonyl group at the C4 sites of flavones were essential for thrombin inhibition, whereas the methoxy and O-glycosyl groups reduced thrombin inhibition. Noteworthy, introduction of OH groups at different positions on flavonoids either decreased or increased anti-thrombin potential. Myricetin exhibited the highest inhibitory potential against thrombin with an IC50 value of 56 μM. Purposively, the established molecular docking virtual screening method is not limited to exploring flavonoid structure activity relationships to anti-thrombin activity but also usefully discovering other natural active constituents.
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chrysin, apigenin, diosmetin and kaempferol-7-O-β-D-glucopyranoside were purchased from Chengdu Desite Biological Technology Co. Ltd. (Sichuan, China)
原文地址:https://www.mdpi.com/1420-3049/25/2/422
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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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Journal of Pharmaceutical and Biomedical Analysis
Comparison of the active components of Aster tataricus from different regions and related processed products by ultra-high performance liquid chromatography with tandem mass spectrometry期刊名:Journal of separation science文献编号:DOI 10.1002/jssc.201900814文献地址:https://onlinelibrary.wiley.com/doi/abs/10.1002/jssc.201900814发表日期:07 January 2020AbstractWe investigated crude Aster tataricus, vinegar‐processed Aster tataricus, honey‐processed Aster tataricus, and steamed Aster tataricus as a case study and developed a comprehensive strategy integrating quantitative analysis and chemical pattern recognition methods for the evaluation and differentiation of Aster tataricus from different regions, as well as related processed products. In the study, 15 batches of raw Aster tataricus collected from seven provinces were analyzed. A sensitive and rapid ultra‐high performance liquid chromatography with tandem mass spectrometry method for simultaneous determination of 15 compounds was established to evaluate the quality of raw and processed Aster tataricus. Furthermore, multivariate statistical techniques were applied to compare the differences among Aster tataricus samples. As a result, the herbs collected from seven provinces were divided into two categories, and chlorogenic acid was the most important component distinguishing between the regions. Moreover, all of the raw and processed samples were classified by partial least squares discriminant analysis based on the 15 analyzed compounds. Results showed that raw Aster tataricus, vinegar‐processed Aster tataricus, honey‐processed Aster tataricus, and steamed Aster tataricus were clustered in four different areas. Shionone, chlorogenic acid and kaempferol were the significant constituents differentiating the raw and differently processed Aster tataricus samples.Luteolin, shionone, quercetin, scopoletin, kaempferol, kaempferol-7-O-β-D-glucopyranoside, isorhamnetin, 7-hydroxycoumarin, methyl caffeate, and protocatechuic acid (purity ≥ 98%) were purchased from Chengdu Desite Biological Technology Co. Ltd. (Sichuan, China)
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Fitoterapia-15 July 2019
Screening cyclooxygenase-2 inhibitors from Andrographis paniculata to treat inflammation based on bio-affinity ultrafiltration coupled with UPLC-QTOF-MS期刊名:Fitoterapia文献编号:DOI 10.1016/j.fitote.2019.104259文献地址:https://www.sciencedirect.com/science/article/abs/pii/S0367326X19309633?via%3Dihub发表日期:15 July 2019AbstractThe cyclooxygenase-2 (COX-2) is a key enzyme in the synthesis of prostaglandins, its inhibitors are effective for the treatment of inflammation. In this study, an analytical method based on bio-affinity ultrafiltration coupled with ultra performance liquid chromatography and quadrupole-time-of-flight mass spectrometry (BAUF-UPLC-Q-TOF-MS) was established for rapidly screening and identifying COX-2 ligands. Meanwhile, the specificity of the method was verified by denatured COX-2 and inactive compound. Next, the biological activity of ligands screened was proved by enzyme inhibition assay. The preferred binding modes for these COX-2 inhibitors were then determined by molecular docking. Finally, network pharmacology was used to explore the pathways involved anti-inflammatory effects. As a result, five COX-2 inhibitors were selected in the extract of Andrographis Herba (AH), including andrographolide (1), 14-deoxy-11,12-didehydroandrographiside (2), andrographidine E (3), andrographidine D (4), and deoxyandrographolide (5). Among them, compounds 2, 3, 4 and 5 were reported to have COX-2 inhibitory activity for the first time. The result of COX-2 inhibition assay showed that compound 3 had an IC50 of 19 μM, compounds 2 and 5 had an IC50 of >200 μM. And each ligand could bind to multiple amino acid residues of COX-2 based on molecular docking. At last, combined with network pharmacology, these ligands could exert anti-inflammatory effects through three pathways related to COX-2, arachidonic acid metabolism, synthesis of prostaglandins, and prostanoid ligand receptors. The method established in the study could be used to rapidly screen other enzyme inhibitors in complex mixtures, and help to understand the mechanism of action.14-deoxy-11,12-didehydroandrographiside, andrographidine E and deoxyandrographolide were purchased from Chengdu DeSiTe Biological Technology Co., Ltd. (Chengdu, China).
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