基于网络药理学研究核桃粕的降脂机理

基于网络药理学方法探究核桃粕降脂的作用机理.通过TCMSP数据库和文献挖掘获得核桃粕的活性成分及相应潜在靶点;使用GeneCards等数据库进行高脂血症(HLP)相关基因预测和筛选;采用Cytoscape 3.7.2软件构建"药物–活性成分–疾病–靶点"网络以形成核桃粕防治HLP的成分及靶点相互作用关系,并进行GO功能...     

基于网络药理学研究核桃改善记忆的功能（网络首发、推荐阅读）

基于网络药理学研究核桃改善记忆的作用机制,采用TCMSP数据库对核桃活性成分和相应的靶点进行筛选,并利用Geencard和OMIM数据库查找记忆相关靶点,通过Cytoscape3.7.1软件构建“活性成分-靶点”关联网络, 并对关键靶点进行GO功能富集和KEGG通路分析。将网络药理学分析的核桃活性成分和作用靶点通过分子对接验证,核桃主要通过鞣花酸、没食子酰葡萄糖、胡桃醌等8个活性成分改善记忆,通过调控PTGS2、PRKCA、PRKCB等靶点,调节血管内皮生长因子信号通路、NF-κB信号通路、MAPK信号通路来改善记忆功能。分子对接表明核桃的活性成分鞣花酸、没食子酰葡萄糖与PRKCA、PRKCB等靶点有较强的结合。本实验为核桃改善记忆的功能产品开发提供了理论基础。     

基于网络药理学的葡萄籽油抗癌和抗肿瘤功能成分及机制研究

通过文献检索和TCMSP 数据库获取葡萄籽油主要活性成分信息及相应的靶蛋白,通过Genecards、OMIM 数据库筛选出癌症和肿瘤相关靶点,借助Venn 在线平台获取药物与疾病的共同靶点,运用Cytoscape 3.7.2软件构建“活性成分-疾病靶点”网络图。使用String 数据库绘制蛋白互作 （PPI）网络,利用David 数据库对关键靶点进行基因本体（Gene Ontology,GO）功能富集及KEGG信号通路分析。研究基于网络药理学方法探讨葡萄籽油抗癌和抗肿瘤的功能成分及作用机制。结果显示,共筛选出葡萄籽油活性成分15种,获得靶点236个,从疾病数据库获得癌症和肿瘤相关靶点686个,通过Venn图获得药物与疾病共同靶点93个,PPI网络分析表明葡萄籽油抗癌和抗肿瘤的关键靶点依次为信号转导子、转录激活子3、丝裂原激活的蛋白激酶1、丝裂原激活的蛋白激酶3、细胞肿瘤抗原p53等。GO功能分析获得P < 0.05的生物学过程477条,主要参与调控酶结合、蛋白质结合、转录因子结合、蛋白质异二聚活性、转录调控区DNA结合等生物学功能。KEGG通路富集分析获得P < 0.05的通路113条,涉及NOD样受体信号通路、MAPK信号通路、p53信号通路、ErbB信号通路、mTOR信号通路、VEGF信号通路、Wnt信号通路等经典信号通路。研究预测葡萄籽油抗癌和抗肿瘤的功能成分及作用靶点、生物学过程与富集通路,揭示其作用机制,为葡萄籽油抗癌作用的进一步研究提供参考。     

基于代谢组学及网络药理学分析天麻熟制过程中生物学活性变化

目的:通过代谢组学、网络药理学及分子对接技术阐述天麻在熟制过程中成分及其药理活性变化。方法:使用LC-QTOF-MS及R语言对天麻成分进行检测和分析;通过PubChem数据库及文献查找筛选出具有生物活性的成分;使用Swiss target prediction数据库及SEA数据库对成分靶点进行预测,GeneCards数据库和OMIM数据库获取疾病靶点;通过STRING 11.5数据库及Cytoscape3.8.2软件绘制药物-化合物-靶点网络及靶点蛋白互作网络,筛选关键成分及靶点;通过DAVID数据库和OmicShare Tools对交集靶点进行GO富集和KEGG通路注释分析。结果:在熟制天麻和新鲜天麻中找出89种在含量方面具有差异的成分;分别筛选出11种具有治疗惊厥作用的成分以及410个潜在靶点,5种具有治疗糖尿病及其并发症作用的成分及698个潜在靶点;GO和KEGG富集分析发现天麻通过IL-17信号通路、cAMP信号通路、神经活性物质受体信号通路、阿尔茨海默病信号通路以及多巴胺能神经突触信号通路治疗惊厥,通过AGE-RAGE信号通路、HIF-1、VEGF以及TNF信号通路治疗糖尿病...     

基于网络药理学和分子对接探讨毛建茶干预高脂血症的作用机制

本研究旨在运用网络药理学方法和分子对接技术综合解释毛建茶干预高脂血症的核心成分和作用机制。利用中药系统药理学数据库和分析平台筛选得到毛建茶中8 个活性成分和160 个干预高脂血症作用的靶点，构建“毛建茶-活性成分-交集靶点-高脂血症”网络。基因本体通路分析和京都基因与基因组百科全书通路富集分析结果显示，毛建茶干预高脂血症主要涉及肿瘤坏死因子信号通路、胰岛素抵抗和过氧化物酶体增殖物激活受体等信号通路；分子对接及可视化分析结果表明，毛建茶核心成分与关键靶点间均能稳定结合。综上，毛建茶通过多成分-多靶点-多通路协同作用干预高脂血症，研究结果可为代用茶植物资源的开发与利用提供理论依据。     

基于Meta分析桥接网络药理学小青龙汤治疗AECOPD疗效及作用机制

基于Meta分析和网络药理学,综合评价小青龙汤联合常规西医治疗慢阻肺急性加重期（AECOPD）的疗效,初步探讨其潜在作用机制。通过检索中国知网（CNKI）、万方（Wangfang）、维普（VIP）、PubMed、Cochrane Library、Web of Science等数据库,收集小青龙汤联合常规西医治疗AECOPD的随机对照试验,根据纳入和排除标准对所有文献进行筛选,采用RevMan 5.4 软件进行Meta分析;随后通过TCMSP数据库检索筛选小青龙汤活性成分及其对应靶点,绘制小青龙汤–化合物–靶基因网络,筛选关键化合物,在TTD数据库、GeneCards数据库、OMIM数据库、DrugBank数据库检索与COPD有关的靶点基因,然后利用Excel筛选化学成分靶点与疾病靶点的交集靶点,绘制韦恩图,将交集靶点导入String数据库构建PPI网络,将小青龙汤活性成分靶点与COPD共同靶点导入David 6.8数据库进行基因本体论（GO）分析和京都基因与基因组百科全书（KEGG）分析,取前20条KEGG通路绘制潜在靶点–通路网络图。利用生物信息学技术进行分析,初步探讨其作用机制。Meta分析共纳入文献 34 篇,2 948例患者,结果显示小青龙汤联合常规西医治疗在总有效率、肺功能、动脉血气分析、中医症候总积分与中医症状体征评分、主要症状缓解时间、炎症因子水平等指标上均优于单用常规西医治疗。网络药理学共得到157种成分、150个共有靶点与130条相关通路,主要涉及HIF-1信号通路、肿瘤坏死因子信号通路、PI3K-Akt信号通路、Toll样受体信号通路等,涉及到氧化反应、炎症反应等主要生物过程。得出小青龙汤联合常规西医治疗在临床疗效上优于单用常规西医治疗方案,其潜在作用机制可能是通过抗炎、抗氧化应激过程来达到治疗AECOPD的目的。     

基于网络药理学探讨新疆罗勒治疗阿尔兹海默症的作用机制

本文通过网络药理学探究新疆罗勒（Ocimum basilicum L.）活性成分其作用靶点,并构建成分-靶点-通路网络探讨其治疗阿尔茨海默病（alzheimer''s disease,AD）的作用机制。按照前期研究报道共筛选出罗勒中活性成分15个,作用靶点528个,与 575个AD疾病靶点重合靶点 118个,通过String数据库分析各蛋白之间相互作用分析,得到31个潜在靶点;再通过DAVID数据库筛选得到257条GO生物过程与100条信号通路。通过以Aβ25-35诱导海马神经元细胞HT22建立阿尔兹海默病体外模型,对罗勒活性成分进行实验验证。网络药理学研究表明,新疆罗勒通过槲皮素和杨梅苷等活性成分作用于PI3K-Akt信号通路、阿尔茨海默病信号通路和TNF信号通路等,改善细胞损伤、细胞膜的通透性以及抑制细胞凋亡,从而达到治疗AD的目的,体现了新疆罗勒多成分、多靶点、多通路的作用特点,为阐述其治疗AD的作用机制提供科学依据。     

基于网络药理学和分子对接技术研究乌梅改善消化不良的作用机制

目的 利用网络药理学和分子对接法,研究乌梅改善消化不良的分子作用机制。方法 利用TCMSP数据库挖掘乌梅潜在活性成分,通过Sea和STP数据库预测相关作用靶点;通过DisGeNET、OMIM和GeneCards 数据库筛选消化不良的相关疾病靶点;通过Venny在线平台映射筛选成分与疾病的交集靶点,使用String数据库进行蛋白质-蛋白质互作分析,通过cytoscape分析连通度、节点紧密度和介数筛选关键靶点,并利用DisGeNET数据库分析靶点类型;使用Auto dock相关软件对关键靶点与对应成分进行分子对接;采用DAVID数据库对乌梅改善消化不良的潜在作用靶点进行GO富集分析和KEGG通路分析。结果 筛选出乌梅11个潜在活性成分及其182个作用靶点,与消化不良相关的789个疾病靶点取交集,得到50个潜在作用靶点,包含SRC, EGFR, AKT1, PIK3R1等关键靶点;GO富集分析显示与生物过程相关的条目145个,与分子功能有关的条目51个,与细胞组分相关的条目有22个;KEGG通路分析显示与75条通路相关,涉及癌症中的蛋白多糖、催乳素信号通路、癌症通路、雌激素信号通路、PI3K-Akt 信号通路、Rap1 信号通路等信号通路;分子对接结果显示活性成分与关键靶点具有较好的结合活性。结论 乌梅改善消化不良作用具有多成分、多靶点、多通路的特点,可为其应用研究提供科学依据和参考。     

基于网络药理学和实验验证探究金银花-黄连治疗咽炎的作用机制

目的 通过网络药理学方法对金银花-黄连治疗咽炎的作用机制进行预测,并进行初步动物实验验证。方法 通过TCMSP数据库筛选金银花与黄连的有效成分;输入Pharm Mapper数据库获得相应基因;检索GeneCards数据库获得咽炎的靶点基因;利用R语言3.6.1截取交集网络获得候选靶点;借助Cytoscape3.7.1将“药物-化合物-靶点-疾病”网络可视化处理;在STRING平台构建PPI网络;利用DAVID数据库对候选靶点进行GO富集分析和KEGG通路注释;使用AutoDock Vina 4.2.6,将关键靶点与关键成分进行分子对接,并使用PyMol进行可视化处理。最后通过急性咽炎大鼠实验模型验证金银花-黄连对两种靶点基质金属蛋白酶2(MMP-2)、白介素2(IL-2)的影响。结果 共获得33个有效化合物,183个不重复的靶标信息,46个疾病治疗靶点;GO与KEGG富集分析分别得到48条目和48条信号通路,主要涉及雌激素信号通路、促性腺激素释放信号通路、Ras信号通路、T细胞受体信号通路。分子对接结果显示金银花-黄连中有效成分黄柏酮、掌叶二蒽酮A与关键靶点MMP-2、表皮生长因子受体...     

基于网络药理学探讨鱼油抗抑郁作用机制

目的:运用网络药理学的方法探讨鱼油抗抑郁的作用机制。方法:通过PharmMapper、SwissTargetPrediction、DrugBank、GeneCards以及Disgenet等数据库获得鱼油治疗抑郁症的作用靶点；利用String网站与Cytoscape软件获得蛋白互作网络分析；通过DAVID 6.8数据库对潜在作用靶点进行富集分析；使用Cytoscape软件绘制成分靶点通路可视化网络图。结果:鱼油主要通过EPA与DHA发挥抗抑郁作用，其治疗抑郁症的相关靶点共115个，主要为MAPK3、MAPK1、CASP3、PPARG、PPARA、PTGS2、DRD2等。这些核心靶点作用于5-羟色胺能突触通路、PPAR信号通路、花生四烯酸代谢通路等信号通路、神经活性配体-受体相互作用信号通路，调节对药物的反应、类固醇激素介导的信号通路、氧化-还原过程等生物过程，发挥抗抑郁作用。结论:鱼油有助于治疗抑郁症具有多靶点、多通路的特点，可能通过5-羟色胺能突触通路、PPAR信号通路、神经活性配体-受体相互作用信号通路、花生四烯酸代谢通路等发挥抗抑郁作用。     

Reliable identification of grapevine rootstock varieties using RAPD PCR on woody samples

Since grapevine ( Vitis spp .) rootstock material is being traded increasingly as disbudded woody material a lack of distinctive morphological features on such material necessitates an alternative and reliable means of identification. Methods described here were developed for rapid and efficient extraction of DNA from woody samples rich in phenolic compounds and polysaccharides, and for subsequent identification of varieties by RAPD PCR. Using these methods, and with the application of only one selected RAPD primer, we were able to differentiate sixteen rootstock varieties, including the seven varieties most commonly used in Germany. Problems commonly encountered with reproducibility of RAPD patterns were avoided by choosing primers with a dinucleotide sequence and a high G/C content that allowed a rather high annealing temperature of 45°C. Methods described here should also be useful for other horticultural crops, especially those with woody tissues rich in phenolic compounds and polysaccharides.     

An internet compendium of analytical methods and spectroscopic information for monomers and additives used in food packaging plastics

An internet website (http://cpf.jrc.it/smt/) has been produced as a means of dissemination of methods of analysis and supporting spectroscopic information on monomers and additives used for food contact materials (principally packaging). The site which is aimed primarily at assisting food control laboratories in the European Union contains analytical information on monomers, starting substances and additives used in the manufacture of plastics materials. A searchable index is provided giving PM and CAS numbers for each of 255 substances. For each substance a data sheet gives regulatory information, chemical structures, physico-chemical information and background information on the use of the substance in particular plastics, and the food packaging applications. For monomers and starting substances (155 compounds) the infra-red and mass spectra are provided, and for additives (100 compounds); additionally proton NMR are available for about 50% of the entries. Where analytical methods have been developed for determining these substances as residual amounts in plastics or as trace amounts in food simulants these methods are also on the website. All information is provided in portable document file (PDF) format which means that high quality copies can be readily printed, using freely available Adobe Acrobat Reader software. The website will in future be maintained and up-dated by the European Commission's Joint Research Centre (JRC) as new substances are authorized for use by the European Commission (DG-ENTR formerly DGIII). Where analytical laboratories (food control or other) require reference substances these can be obtained free-ofcharge from a reference collection housed at the JRC and maintained in conjunction with this website compendium.     

Aroma characterization of various apricot varieties using headspace–solid phase microextraction combined with gas chromatography–mass spectrometry and gas chromatography–olfactometry

The characterization of the aromatic profile of several apricot cultivars with molecular tracers in order to obtain objective data concerning the aromatic quality of this fruit was undertaken using headspace–solid phase microextraction (HS–SPME). Six apricot cultivars were selected according to their organoleptic characteristics: Iranien, Orangered, Goldrich, Hargrand, Rouge du Roussillon and A4025. The aromatic intensity of these varieties measured by HS–SPME–Olfactometry were defined and classified according to the presence and the intensity of grassy, fruity and apricot like notes. In the six varieties, 23 common volatile compounds were identified by HS–SPME–GC–MS. Finally, 10 compounds, ethyl acetate, hexyl acetate, limonene, β-cyclocitral, γ-decalactone, 6-methyl-5-hepten-2-one, linalool, β-ionone, menthone and (E)-hexen-2-al were recognized by HS–SPME–GC–O as responsible of the aromatic notes involved in apricot aroma and considered as molecular tracers of apricot aromatic quality which could be utilized to discriminate apricot varieties.     

Tests of potential functional barriers for laminated multilayer food packages. Part I: Low molecular weight permeants

The advent of the functional barrier concept in food packaging has brought with it a requirement for fast tests of permeation through potential barrier materials. In such tests it would be convenient for both foodstuffs and materials below the functional barrier (sub-barrier materials) to be represented by standard simulants. By means of inverse gas chromatography, liquid paraffin spiked with appropriate permeants was considered as a potential simulant of sub-barrier materials based on polypropylene (PP) or similar polyolefins. Experiments were performed to characterize the kinetics of the permeation of low molecular weight model permeants (octene, toluene and isopropanol) from liquid paraffin, through a surrogate potential functional barrier (25 μm-thick oriented PP) into the food simulants olive oil and 3% (w/v) acetic acid. These permeation results were interpreted in terms of three permeation kinetic models regarding the solubility of a particular model permeant in the post-barrier medium (i.e. the food simulant). The results obtained justify the development and evaluation of liquid sub-barrier simulants that would allow flexible yet rigorous testing of new laminated multilayer packaging materials.     

Chlorohydrins of bisphenol A diglycidyl ether (BADGE) and of bisphenol F diglycidyl ether (BFDGE) in canned foods and ready-to-drink coffees from the Japanese market

BADGE.2HCl and BFDGE.2HCl were determined in 28 samples of ready-to-drink canned coffee and 18 samples of canned vegetables (10 corn, 5 tomatoes and 3 others), all from the Japanese market. HPLC was used as the principal analytical method and GCMS for confirmation of relevant LC fractions. BADGE.2HCl was found to be present in one canned coffee and five samples of corn, BFDGE.2HCl in four samples of canned tomatoes and in one canned corn. No sample was found which exceeded the 1mg/kg limit of the EU for the BADGE chlorohydrins. However the highest concentration was found for the sum of BFDGE.2HCl and BFDGE.HCl.H₂O at a level of 1.5mg/kg. A Beilstein test confirmed that all cans containing foods contaminated with BADGE.2HCl or BFDGE.2HCl had at lest one part coated with a PVC organosol.     

European priorities for research to support legislation in the area of food contact materials and articles

A strong science base is required to underpin the planning and decision-making process involved in determining future European community legislation on materials and articles in contact with food. Significant progress has been made in the past 5 years in European funded work in this area, with many developments contributing to a much better understanding of the migration process, and better and simpler approaches to food control. In this paper this progress is reviewed against previously identified work-areas (identified in 1994) and conclusions are reached about future requirements for R&D to support legislation on food contact materials and articles over the next 5 or so years.     

Analysis of benzo[a]pyrene in spiked fatty foods by second derivative synchronous spectrofluorimetry after microwave-assisted treatment of samples

A simple, rapid and inexpensive method has been developed for the determination of benzo[a     

The development of reference materials for paralytic shellfish poisoning toxins in lyophilized mussel. II: Certification study

This paper describes the second part of a project undertaken to develop certified mussel reference materials for paralytic shellfish poisoning toxins. In the first part two interlaboratory studies were undertaken to investigate the performance of the analytical methodology for several PSP toxins, in particular saxitoxin and decarbamoyl-saxitoxin in lyophilized mussels, and to set criteria for the acceptance of results to be applied during the certification exercise. Fifteen laboratories participated in this certification study and were asked to measure saxitoxin and decarbamoyl-saxitoxin in rehydrated lyophilized mussel material and in a saxitoxin-enriched mussel material. The participants were allowed to use a method of their choice but with an extraction procedure to be strictly followed. The study included extra experiments to verify the detection limits for both saxitoxin and decarbamoyl-saxitoxin. Most participants (13 of 15) were able to meet all the criteria set for the certification study. Results for saxitoxin.2HCl yielded a certified mass fraction of <0.07 mg/kg in the rehydrated lyophilized mussels. Results obtained for decarbamoyl-saxitoxin.2HCl yielded a certified mass fraction of 1.59+/-0.20 mg/kg. The results for saxitoxin.2HCl in enriched blank mussel yielded a certified mass fraction of 0.48 +/- 0.06 mg/kg. These certified reference materials for paralytic shellfish poisoning toxins in lyophilized mussel material are the first available for laboratories to test their method for accuracy and performance.     

Announcing a new international peer-reviewed journal:Food Science and Human Wellness now accepting manuscript submission in English

<正>We are pleased to announce the launch of a new international peer-reviewed journal-Food Science and Human Wellness,ISSN 2213-4530,which is an open access journal,produced and hosted by Elsevier B.V.on behalf of Beijing Academy of Food Sciences.Food Science and Human Wellness is an international peer-reviewed English journal that provides a forum for the dissemination of the