Correlation analysis between the HPLC fingerprints and in vitro antibacterial activity of ethyl acetate extracts from Radix isatidis

Aim To study the correlation between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis from various sources. Methods Ten batches of Radix isatidis EtOAc extracts were analyzed with HPLC and the fingerprints were established. The influence of EtOAc extracts on the thermogenic curve of growth of Escherchia coli was obtained by microcalorimetry. The chemical differences of EtOAc extracts of Radix isatidis from various sources in the HPLC fingerprints were probed with hierarchical clustering analysis and similarity analysis. The correlation between the HPLC fingerprints and in vitro antibacterial activities was analyzed with multivafiant correlation analysis. Results Close correlation existed between the HPLC fingerprints and in vitro antibacterial activities of EtOAc extracts of Radix isatidis. Conlusion The combination of HPLC fingerprints and antibacterial activities can be used to discover principle components of Radix isatidis on bioactivity.

Chemical Composition, Antibacterial Activity of the Essential Oil from Roots of <i>Radix aucklandiae</i>against Selected Food-Borne Pathogens

Radix aucklandiae from Yunnan Province in China is a significant medicinal plant. In the present study, the essential oil composition from?Radix aucklandiae roots was investigated by gas chromatography-mass spectrometry (GC-MS). A total of 23 compounds representing 57.95% of the essential oil were tentatively identified. The main constituents were eremanthin (12.74%), d-Guaiene (6.26%), ζ-Himachalene (6.16%) and l-Caryophyllene (4.84%). The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of the essential oil from R. aucklandiae were evaluated against three Gram-positive bacteria (Staphylococcus aureus, Staphylococcus albus and Bacillus subtilis) three Gram-negative bacteria (Salmonella typhimurium, Escherichia coli and Shigella dysenteriae). Results revealed that the essential oil exhibited significant in vitro antimicrobial property. Among all the tested microorganisms, the essential oil showed the strongest inhibitory effect against S. typhimurium. The data of this study suggests that the essential oil from Radix aucklandiae has great potential for application as a natural antimicrobial agent to preserve food.

Action Mechanism of Radix Aucklandiae against Gastric Ulcer Based on Network Pharmacology

[Objectives] To explore the potential targets and action mechanism of radix aucklandiae (RA) in the treatment of gastric ulcer (GU) by network pharmacology. [Methods] Gene targets were obtained through TCMSP, DisGeNet, OMIM, GeneCards databases, which related to GU and the active components of RA. The mutual potential functional targets were selected through Venny to constitute the PPI protein interaction network. The DAVID database was applied for GO and KEGG enrichment analysis of the common targets to construct the "Active component-Target-Pathway" network and analyze the relationship between them. [Results] There are 31 active components, 82 related targets and 16 common targets in the treatment of GU. The active components in Ra may exert anti-ulcer effects through six signaling pathways, including NF-κB, Toll-like receptors, VEGF and HIF-1. In addition, PTGS2, TNF, TLR4, JUN, IL2, SRC, RELA, KDR, NOS2 and PLAU may be the 10 key targets of Ra in the treatment of GU. [Conclusions] Ra controls GU through the synergies of multiple components, targets and pathways. It can provide a theoretical basis for further study on the mechanism of RA in treating GU.

Pharmacokinetic Analysis of Four Bioactive Iridoid and Secoiridoid Glycoside Components of Radix Gentianae Macrophyllae and Their Synergistic Excretion by HPLC-DAD Combined with Second-Order Calibration

An HPLC-DAD method combined with second-order calibration based on the alternating trilinear decomposition(ATLD)algorithm with the aid of region selection was developed to simultaneously and quantitatively characterize the synergistic relationships and cumulative excretion of the four bioactive ingredients of Radix Gentianae Macrophyllae in vivo.Although the analytes spectra substantially overlapped with that of the biological matrix,the overlapping profiles between analytes and co-eluting interferences can be successfully separated and accurately quantified by the ATLD method on the basis of the strength of region selection.The proposed approach not only determined the content change but also revealed the synergistic relationships and the cumulative excretion in vivo of the four ingredients in urine and feces samples collected at different excretion time intervals.In addition,several statistical parameters were employed to evaluate the accuracy and precision of the method.Quantitative results were confirmed by HPLC-mass spectrometry.Satisfactory results indicated that the proposed approach can be utilized to investigate the pharmacokinetics of Radix Gentianae Macrophyllae excretion in vivo.

A valid evaluation method for UPLC fingerprint analysis and moisture ratio prediction model:application to microwave vacuum drying of Radix isatidis extract

Background:Drying is a necessary component of traditional Chinese medicine extracts.The heating principle of microwave vacuum drying is different from that of the conventional heat method.However,at present,there is paucity of information on the drying process of traditional Chinese medicine extract by microwave vacuum drying,and the results of such process are unclear.Methods:To study the dynamic changes in the chemical characteristics of microwave vacuum drying under different drying conditions,ultrahigh-performance liquid chromatography fingerprint profiles were established using Radix isatidis extract as a model drug and analyzed using similarity analysis,partial least squares-discriminant analysis,and semi-quantitative analysis.In addition,a backpropagation artificial neural network model was developed to predict the moisture ratio of the drying process.Results:Qualitative results showed that the similarity between different drying conditions was greater than 0.95,and 2 amino acid components(peaks 5 and 6)affected by process fluctuations were screened out.The quantitative results showed that the mass concentration of component 1 fluctuated after drying,while that of component 2 increased.The optimal backpropagation artificial neural network model structure used to predict the moisture ratio was 5-4-1,with regression and mean squared error values of 0.996 and 0.0003,respectively,after training,which were well fitted and had a strong approximation ability.Conclusion:Upon comparison of fingerprints and the evaluation of statistical methods,common components of Radix isatidis extract had little variation under different drying conditions,and the selected components provided a reference for the establishment of process evaluation indexes.The establishment of backpropagation artificial neural network provides a theoretical basis for the application of microwave vacuum drying technology and online monitoring of moisture ratio.

Study on Trace Elements in Rehmannia glutinosa Libosch. by Principal Component Analysis and Clustering Analysis

[Objective] This study aimed to investigate the trace elements in Rehman- nia glutinosa Libosch. by using principal component analysis and clustering analysis. [Method] Principal component analysis and clustering analysis of R. glutinosa medicinal materials from different sources were conducted with contents of six trace elements as indices. [Result] The principal component analysis could comprehen- sively evaluate the quality of R. glutinosa samples with objective results which was consistent with the results of clustering analysis. [Conclusion] Principal component analysis and clustering analysis methods can be used for the quality evaluation of Chinese medicinal materials with multiple indices.

A strategy of screening and binding analysis of bioactive components from traditional Chinese medicine based on surface plasmon resonance biosensor

Elucidating the active components of traditional Chinese medicine(TCM)is essential for understanding the mechanisms of TCM and promote its rational use as well as TCM-derived drug development.Recent studies have shown that surface plasmon resonance(SPR)technology is promising in this field.In the present study,we propose an SPR-based integrated strategy to screen and analyze the major active components of TCM.We used Radix Paeoniae Alba(RPA)as an example to identify the compounds that can account for its anti-inflammatory mechanism via tumor necrosis factor receptor type 1(TNF-R1).First,RPA extraction was analyzed using an SPR-based screening system,and the potential active ingredients were collected,enriched,and identified as paeoniflorin and paeonol.Next,the affinity constants of paeoniflorin and paeonol were determined as 4.9 and 11.8 mM,respectively.Then,SPR-based competition assays and molecular docking were performed to show that the two compounds could compete with tumor necrosis factor-a(TNF-a)while binding to the subdomain 1 site of TNF-R1.Finally,in biological assays,the two compounds suppressed cytotoxicity and apoptosis induced by TNF-a in the L929 cell line.These findings prove that SPR technology is a useful tool for determining the active ingredients of TCM at the molecular level and can be used in various aspects of drug development.The SPR-based integrated strategy is reliable and feasible in TCM studies and will shed light on the elucidation of the pharmacological mechanism of TCM and facilitate its modernization.

Advances in Research of Anti-tumor Effect of Aconiti Radix

In this paper,the anti-tumor effects of Aconiti Radix were reviewed and summarized,and the clinical feasibility of Aconiti Radix as a potential anti-tumor drug was analyzed,in order to provide a useful reference for the future research and development of new anti-cancer drugs of Aconiti Radix.

Spectrum-effect relationship between HPLC fingerprints and bioactive components of Radix Hedysari on increasing the peak bone mass of rat

The traditional Chinese medicine of Radix Hedysari plays an important role in invigorating gas for ascending, benefiting blood for promoting production of fluid, and promoting circulation for removing obstruction in collaterals, which is consistent with the principle of treatment for osteoporosis. This study is designed to investigate the bioactive components on increasing peak bone mass (PBM) by exploring the spectrum-effect relationship between chromatography fingerprints and effect. Multiple indicators are selected to evaluate the pharmacological activity. In fingerprints, 21 common peaks are obtained, five of which are identified. Furthermore, gray relational analysis (GRA) is a quantitative method of gray system theory and is used to describe the correlation degree of common peaks and pharmacological activities with relational value. 21 components are then divided into three different regions, of which ononin and calycosin play an extremely significant role in increasing PBM. In addition, factor analysis and hierarchical cluster analysis (HCA) are used to screen the optimal producing area for Radix Hedysari. This provides a comprehensive and efficient method to improve the quality evaluation of Radix Hedysari, confirming the bioactive components for PBM-enhancement and further develop its medicinal value.

Study on mechanism of Radix astragali-Lithospermum erythrorhizon in treatment of diabetic ulcer based on network pharmacology

Objective:To explore the mechanism of Radix Astragali-Lithospermum Erythrorhizon on the treatment of diabetic ulcer through the method of network pharmacology.Methods:This study included 32 compounds and 81 key targets.100 GO functional items and 116 KEGG signal pathways were obtained by enrichment analysis.Quercetin,kaempferol,isorhamnetin,mononetin,sitosterol,ivy sapogenin and other components of astragalus-purple herb play a key role in the targets of interleukin-6,cystatin 3,vascular endothelial growth factor,epidermal growth factor receptor and mitogen-activated protein kinase 8 in diabetic ulcer,and are mainly concentrated in AGE-RAGE,TNF and other signal pathways.Results:There were 32 compounds and 81 key targets.100 GO functional items and 116 KEGG signal pathways were obtained by enrichment analysis.Quercetin,kaempferol,isorhamnetin,mononetin,sitosterol,ivy sapogenin and other components of astragalus-purple herb play a key role in the targets of interleukin-6,cystatin 3,vascular endothelial growth factor,epidermal growth factor receptor and mitogen-activated protein kinase 8 in diabetic ulcer,and are mainly concentrated in AGE-RAGE,TNF and other signal pathways.Conclusion:Radix Astragali-Lithospermum Erythrorhizon may play the role of inhibiting inflammation,anti-apoptosis,promoting cell proliferation,angiogenesis and immune regulation through multi-components and multitargets,and play a role in the treatment of diabetic ulcer.

基于智能感官与多元统计分析的红芪药材快速辨识方法研究

目的基于多元统计分析方法,整合由智能感官电子鼻和色差仪获取的中药性状鉴别特征,建立红芪野生品和栽培品快速辨识方法,为红芪商品规格标准制定和市场质量控制应用研究提供参考。方法基于色差仪和电子鼻技术对29批红芪样品进行检测以获取其感官信息,通过HPLC测定红芪有效成分并进行联合分析。建立红芪电子鼻最佳试验条件后,采用主成分分析、正交偏最小二乘-判别分析及聚类分析等多元统计分析方法建立红芪野生品和栽培品辨别模型。结果红芪电子鼻最佳试验条件(颗粒度为65目)为样品取样量2.0 g,样品最佳孵化温度50℃、孵化时间25 min。单一智能感官检测结果无法快速、准确地辨别红芪野生品和栽培品,而电子鼻与色差仪融合信息可快速辨别两者,且化学成分与色味具有一定相关性。结论电子鼻和色差仪两类智能感官信息经多元统计分析能够快速、准确地区分野生品和栽培品红芪药材,简便可行,将其相关性能与有效成分联合分析可用于红芪的品质评价。

柱前衍生-高效液相色谱法测定巴戟天中氨基酸含量及营养价值评价

建立柱前衍生-高效液相色谱法测定巴戟天中氨基酸含量,采用氨基酸比值系数法评价其营养价值。采用盐酸水解法制得巴戟天氨基酸供试品溶液,以异硫氰酸苯酯和三乙胺为柱前衍生化试剂,采用高效液相色谱法,使用Ultimate Amino Acid色谱柱(4.6 mm×250 mm,5μm)以0.1 mol/L无水乙酸钠-乙腈为流动相,梯度洗脱,柱温40℃,检测波长为254 nm,测定氨基酸含量;通过氨基酸比值、氨基酸比值系数、氨基酸比值系数分等评价其营养价值,并采用系统聚类和主成分分析对其进行分类分析。结果表明,15种氨基酸线性关系良好,相关系数r≥0.9996。16份巴戟天氨基酸总含量为17.87~102.15 mg/g,均检测到15种氨基酸,其中包含6种必需氨基酸,占总氨基酸含量的14.15%~32.06%;8种药用氨基酸,占总氨基酸含量的45.20%~56.31%。限制氨基酸为苏氨酸和亮氨酸,氨基酸比值系数分为33.87~61.31。不同巴戟天样品氨基酸组成相关性显著;主成分分析提取2个主成分,累计方差贡献率为97.085%,可将16批巴戟天分为三类。该实验测定方法简单有效,可同时分离测定15种氨基酸,精密度与重复性良好,有较高的药用价值,可为巴戟天的品质分析和资源开发利用提供参考。

黄芪、木香微型饮片切制工艺优选

目的:优选黄芪、木香微型饮片切制的工艺条件。方法:以饮片的粒径、片厚、润制时间和干燥方式为考察因素,以休止角、醇溶性浸出物及黄芪中指标成分黄芪甲苷和毛蕊异黄酮葡萄糖苷、木香中指标成分木香烃内酯和去氢木香内酯含量为指标,采用正交设计,优选黄芪、木香微型饮片切制条件。结果:黄芪、木香微型饮片切制的最佳工艺均为润制4 h,切制粒径为7~8 mm,厚度为4 mm,采用阴干方法干燥。结论:黄芪、木香微型饮片切制工艺合理可行,为微型饮片的研究提供了参考依据。

红芪搓条前后主要次级代谢产物变化规律研究

目的 考察红芪搓条前后主要次级代谢产物的变化规律。方法 UPLC-MS/MS法测定芒柄花素、芒柄花苷、毛蕊异黄酮、毛蕊异黄酮苷、美迪紫檀素、染料木素、木犀草素、甘草素、异甘草素、香草酸、阿魏酸、γ-氨基丁酸、腺苷、甜菜碱的含量,聚类分析、主成分分析、正交偏最小二乘判别分析进行化学模式识别以寻找差异性成分。结果 搓条后,芒柄花素、毛蕊异黄酮、甘草素、γ-氨基丁酸含量升高,芒柄花苷、毛蕊异黄酮苷、香草酸含量降低。搓条、未搓条药材聚为2类,毛蕊异黄酮苷、芒柄花素、γ-氨基丁酸、香草酸、毛蕊异黄酮、芒柄花苷为差异性成分。结论 本实验阐明红芪搓条前后化学成分差异,可为其他药材搓条机制研究提供参考。

7576张含丹参-当归药对的门诊中药饮片处方回顾性分析

目的:了解江苏省中西医结合医院南部院区/南京市溧水区中医院(以下简称“该院”)含丹参-当归药对的门诊中药饮片处方情况,探究该药对的临床配伍应用规律,为该药对的合理使用提供参考。方法:采用回顾性分析方法,统计2020—2022年该院使用丹参-当归药对的7576张门诊中药饮片处方,对患者的性别、年龄、处方药味数、金额、疗程、涉及科室及病症、使用剂量、常用的配伍比例及配伍饮片等相关内容进行统计分析。结果:7576张含丹参-当归药对的门诊中药饮片处方中,女性患者处方数约为男性患者处方数的3.21倍(5776张vs.1800张),>30~40岁患者居多。单张处方的中药饮片味数多集中在16~20味,开具的疗程均<30 d。丹参的使用剂量为《中华人民共和国药典》规定的10~15 g的处方有6490张,占85.67%;当归的使用剂量为《中华人民共和国药典》规定的6~12 g的处方有6608张,占87.22%。处方数排序居前3位的科室依次为国医堂、妇科及脑病科,治疗的病证以冲任失调、心脾两虚及气滞血瘀证为主。单张处方中丹参用量大于等于当归用量,丹参与当归的配伍比例以1∶1为多,高频配伍饮片为茯苓、川芎、炒白芍。结论:基于处方用药分析,该院含丹参-当归药对的门诊中药饮片处方基本合理,为丹参-当归药对的使用剂量范围及配伍规律研究提供了数据支持,有利于促进临床合理用药。

象性合参论远志效用特色与优势

采用药性与法象理论合参方法,融合现代药理与临床认识,阐释远志双调心神的作用机制,为远志治疗难治性病证提供药学与临床依据。研究发现,远志的特殊药象是其宁心安神功效的药材学基础,结合其“辛烈开窍”的性能特点,采用象性合参的方法,不仅有助于理解远志双调心神的特殊功效及其“安神不闭窍,开窍不动神”的药效特点,而且对认识用其治心神疾患、睡眠紊乱以及惊风、中风、癫痫等病证的作用优势,也提供了“象思维”的路径。象性合参还可揭示远志交通心肾的作用机制,并与其双调心神作用结合,拓展治疗心神失常之应用范围。因此,运用象性合参阐释远志的多重药理效用,是探析其治疗疑难杂病机制的重要方法。

基于网络药理学及分子对接分析当归-川芎药对治疗银屑病的作用机制

目的:运用网络药理学方法和分子对接技术,预测当归-川芎药对治疗银屑病的潜在分子作用机制。方法:通过中药系统药理学数据库与分析平台筛选出当归和川芎的有效活性成分以及具体的功效靶点,通过检索GeneCards、人类孟德尔遗传综合数据库、DrugBank和DisGeNET数据库,获得银屑病相关靶点。利用Venn网页工具获取药物疾病共同靶点,将其输入Cytoscape 3.9.1软件绘制当归、川芎-共同靶点-银屑病网络图。运用STRING数据库及Cytoscape 3.9.1软件构建蛋白质-蛋白质相互作用网络,通过DAVID数据库进行基因本体(GO)、京都基因与基因组百科全书(KEGG)富集分析,用微生信绘制富集分析的气泡图。利用AutoDock软件对分子对接进行验证,并用PyMOL软件对分子对接进行可视化。结果:获取当归、川芎治疗银屑病的有效活性成分9个,潜在作用靶点28个,关键作用靶点为胱天蛋白酶3、环氧化酶2、雌激素受体1、转录因子AP-1和丝裂原激活的蛋白激酶14。主要涉及药物的反应信号通路、细胞内类固醇激素受体信号通路、磷脂酰肌醇3激酶-蛋白激酶B信号通路和白细胞介素17信号通路等。结论:当归-川芎药对通过多通路、多种有效活性成分和多种有效靶点实现对银屑病的治疗。

关白附炮制前后对缺血性中风沙鼠药效学和代谢组学的影响

目的研究关白附生品及其炮制品对沙鼠缺血性脑中风的保护作用及对尿液代谢物的影响。方法将36只沙鼠随机分成空白组(CG)、模型组(MG)、阳性药组(PG)、生关白附组(RA)、蒸关白附组(SA)和姜矾制关白附组(GA),每组6只,除空白组沙鼠外,其余各组采用右侧单侧结扎沙鼠颈动脉造成中风模型。造模成功后,关白附给药组分别灌胃对应的饮片全粉混悬液(0.586 mg/g),阳性药组灌胃脑络通颗粒混悬液(0.390 mg/g),空白组灌胃生理盐水,共给药14 d。分别采用Longa评分法、氯化三苯基四氮唑(TTC)染色法、酶联免疫法检测关白附生品及其炮制品对神经功能学评分、脑组织梗死面积、氧化应激水平、炎症因子表达;采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱法(UHPLC-Q-Orbitrap-MS)分析空白组、模型组、阳性药组、生关白附组、蒸关白附组和姜矾制关白附组沙鼠尿液样品;采用多元统计方法对数据进行处理,筛选差异代谢物;采用京都基因与基因组百科全书(KEGG)数据库结合MetaboAnalyst 5.0软件对筛选出的差异代谢物进行代谢通路分析。结果关白附及其炮制品可显著改善脑组织梗死面积;明显降低脑组织和血清中丙二醛(MDA),白细胞介素-6(IL-6)和肿瘤坏死因子-α(TNF-α)活性(P<0.05),明显升高超氧化物歧化酶(SOD)、谷胱甘肽(GSH)、一氧化氮(NO)活性(P<0.05);代谢组学研究发现L-脯氨酸(L-Proline)、核黄素(Riboflavin)、白三烯D4(Leukotriene D4)、7-甲基黄嘌呤(7-Methylxanthine)等112种差异代谢物可作为缺血性脑中风潜在生物标志物,涉及核黄素代谢、嘧啶代谢、嘌呤代谢等14条代谢通路。生关白附回调了其中的核黄素代谢、嘧啶代谢等4条代谢通路;蒸关白附回调了其中的核黄素代谢、嘧啶代谢、精氨酸和脯氨酸代谢等5条代谢通路;姜矾制关白附回调了其中的咖啡因代谢和乙醛和二羧酸代谢2条代谢通路。结论通过比较药效学实验结果发现蒸制关白附效果较好,并明确了生品和炮制品对缺血性脑中风潜在生物标志物调节作用的异同。

基于气相色谱质谱联用技术分析木香及川木香不同炮制品挥发油的化学成分

目的:探讨不同炮制方法对木香及川木香挥发油成分的影响。方法:采用切制、清炒、麸炒、纸煨方法炮制木香与川木香,测定不同炮制品的挥发油含量,应用气相色谱质谱联用技术检测各样品成分组成。结果:经炮制后,药材中挥发油含量减少,且随辅料的加入,油量变更少。鉴定出化合物木香生品38种、清炒品36种、麸炒品34种、纸煨品34种;川木香生品32种、清炒品35种、麸炒品35种、纸煨品34种。木香经过炮制后,水芹烯、桧烯、石竹烯等一些芳香成分含量降低,去氢木香内酯、石竹素、香叶基丙酮等药效成分含量逐渐升高。川木香成分变化与木香相似,但芳香成分更少。木香与川木香的相同成分有去氢木香内酯、单紫杉烯、榄香烯、木香醇、α-木香醇;经正交偏最小二乘法判别分析得木香与川木香的含量差异物质有二氢去氢木香内酯、mokkolactone、α-木香醇、γ-木香醇、α-bergamotenol、萘、单紫杉烯、α-selinene、2-isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene、(3Z,3aR,7aS)-3-ethylidene-1,2,3a,4,5,6,7,7a-octahydroindene、榄香烯。结论:木香与川木香挥发油中约60%的化学成分基本相同;与生品相比,炮制后二者挥发油的化学成分均有变化,但二者成分的差异减少。其中纸煨法对木香及川木香的化学成分影响最大,辛香气味化合物的减少与一些药效成分的增多可能是纸煨品实肠止泻的物质基础。

2000-2023年玄参研究文献可视化分析

目的了解2000-2023年玄参研究热点及趋势,为相关研究提供参考。方法计算机检索中国知识资源总库(CNKI)、中文科技期刊数据库(VIP)、中国学术期刊数据库(万方数据)、中国生物医学文献数据库(CBM)2000年1月1日-2023年6月1日收录的玄参相关研究文献。采用NoteExpress3.7.0.9296软件管理文件及剔重,采用CiteSpace6.2.R4软件对作者、机构及关键词进行可视化分析。结果共纳入2240篇文献,年发文量整体呈波动上升趋势;发文较多的来源期刊有《陕西中医》《中医杂志》《时珍国医国药》等;核心作者有张宁、刘树民、刘斌等;主要研究机构有北京中医药大学、南京中医药大学、广州中医药大学等;高频关键词有“哈巴俄苷”“质量标准”“临床观察”等。结论玄参研究热点主要集中于化学成分、疾病治疗及配伍应用方面;通过数据挖掘、网络药理学和分子对接等现代技术探究玄参的用药规律和作用机制是该领域近年研究趋势。