基于分子对接探讨红芪中小分子拮抗肿瘤坏死因子受体1的可能性

目的:基于分子对接的方法研究拮抗肿瘤坏死因子受体1(TNFR1)的红芪小分子化合物。方法:从相关中药化学成分化合物库下载红芪小分子化合物结构,进行结构优化,获得红芪成分化合物库;确定炎症靶点TNFR1三维结构(PDB ID:1TNR),进行加氢、去水等处理,根据文献确定结合口袋残基;根据确定的靶点结构和结合口袋,将成分化合物库与靶点进行柔性分子对接,获得打分值(Glide Score);基于分子对接结果,选择Glide Score前9个小分子化合物为候选成分,在此基础上进行类药性分析,即符合氢键受体数、氢键供体数量、分子量、可旋转键的数量、脂水分配系数的数值范围的小分子化合物;最后根据药代动力学参数及成分-靶点对接的复合物结构进行结合模式分析。结果:确定TNFR1药物结合口袋的残基组成为谷氨酸109(Glu109),赖氨酸35(Lys35),丙氨酸62(Ala62),丝氨酸74(Ser74),赖氨酸75(Lys75),半胱氨酸76(Cys76),精氨酸77(Arg77),谷氨酸82(Gln82),苏氨酸89(Thr89),天冬氨酸91(Asp91),精氨酸92(Arg92),天冬氨酸93(Asp93),苏氨酸94(Thr94),缬氨酸95(Val95),半胱氨酸96(Cys96),精氨酸104(Arg104),酪氨酸106(Tyr106),天冬酰胺110(Asn110),亮氨酸111(Leu111),苯丙氨酸112(Phe112),谷氨酸131(Glu131),赖氨酸132(Lys132);检索得到红芪43个小分子化合物;以对接打分等综合筛选出槲皮素、异甘草素、柚皮素、毛蕊异黄酮及甘草素5个红芪小分子化合物。结论:红芪抗炎的有效物质基础槲皮素、异甘草素、柚皮素、毛蕊异黄酮及甘草素具有成为TNFR1拮抗剂的较大可能性。     

甘草次酸-壳聚糖纳米粒的制备及其质量评价

目的研究甘草次酸-壳聚糖纳米粒(GA-CS-NPs)的最佳制备处方并对其进行质量评价。方法采用离子交联法制备GA-CS-NPs,以粒径、载药量、包封率为综合评价指标,通过单因素、正交设计试验优化制备工艺及处方,通过形态观察、粒径、载药量及包封率的考察对其进行质量评价。结果最佳处方组合为甘草次酸(GA)质量浓度为0.2 mg/m L,壳聚糖(CS)质量浓度为2 mg/m L,CS溶液与三聚磷酸钠(TPP)溶液(1.0 mg/m L)的体积比为20∶3,所制备的GA-CS-NPs平均粒径(310.27±10.02)nm,包封率(51.42±0.43)%,载药量(6.87±0.47)%。质量评价结果表明,GA-CS-NPs外观圆整、均匀,在低温条件下,具有一定的稳定性。结论离子交联法制备GA-CS-NPs工艺简单、可靠,产品稳定性好。     

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??OBJECTIVE To investigate the ameliorated effect and mechanisms of phenylethanoid glycosides from Pedicularis muscicola Maxim on high altitude memory impairment. METHODS After successfully trained in the 8-arms radial maze, fifty Wistar rats were randomly divided into normoxic control group, hypoxia group, phenylethanoid glycosides 50, 200 and 400 mg??kg^-1 groups(given corresponding dose). Normoxic control and hypoxia groups were administered with distilled water for a week.When drug delivery in the fourth day, hypoxia and phenylethanoid glycosides groups rats were exposed to a simulated of 7 500 m in a specially designed animal decompression chamber. Eight arms radial maze was used to measure spatial memory, HE stained was used to observe the cell morphology in brain tissue and biochemical technique was used to detect the content of MDA and ROS and enzymatic activity of GSH and SOD in brain tissue and serum. RESULTS Compared with the normoxic control group, for hypoxia group rats, WME, RWE and TE were respectively increased by 800%, 71%, and 127.1%(P??0.01) and neuron damage was significantly increased, the enzymatic activity of GSH and SOD were respectively decreased by 60.9% and 18.11%(P<0.05, P<0.01) in brain tissue and plasma while the content of MDA was increased in brain tissueby 74.8% (P<0.01). Compared with the hypoxia group, for phenylethanoid glycosides 200, 400 mg??kg^-1 groups rats, WME,RWE,TE were respectively decreased by 68.44%,63.11%;33.14%,25.34% and 43.91%, 36.72% (P??0.05, P??0.01) and neuron damage was significantly decreased, the enzymatic activity of GSH were respectively increased by 219.76%, 180.75% and 32.81%, 24.10% (P<0.05, P<0.01) and the enzymatic activity of SOD were respectively increased by 9.57%, 13.88% and 15.41%, 15.45% (P<0.05) in brain tissue and plasma,while the content of MDA in plasma were respectively decreased by 42.73%, 42.73% (P<0.01) and MDA and ROS in brain tissue were respectively decreased by 61.71%, 42.79% and 40.76%, 23.53% (P<0.01); for phenylethanoid glycosides 50 mg??kg^-1 group rats, the corresponding indicators had been ameliorated, but there was no significant difference.CONCLUSION Phenylethanoid glycosides of Pedicularis muscicola Maxim can ameliorate high altitude memory impairment, which its involved mechanism may be antioxidant stress and inhibition on cell damage.     

基于Qrt-RNA技术筛选藏药湿生扁蕾抗溃疡性结肠炎肠纤维化活性成分的研究

目的：研究藏药湿生扁蕾抗溃疡性结肠炎肠纤维化的药效物质基础。方法采用2,4,6-三硝基苯磺酸（TNBS）诱导的大鼠溃疡性结肠炎肠纤维化模型,灌胃给予藏药湿生扁蕾用乙酸乙酯萃取的活性提取物,以硅胶色谱分离、薄层定性得到的活性部位,采用荧光定量 RT-PCR 法检测大鼠结肠组织胶原ⅠmRNA、胶原Ⅲ mRNA、α-SMA mRNA、E-cad mRNA 的表达,筛选其活性成分。结果湿生扁蕾乙酸乙酯萃取物分离得到的活性部位经纯化得到4个单体化合物,用光谱分析等鉴定为1-hydroxy-3,7,8-Trimethoxyxanthones、1,8-Dihydroxy-3,7-Dimethoxyx-anthones、1-hydroxy-3,7-Dimethoxyxanthones 和1,7-Dihydroxy-3,8-Dimethoxyxanthones,4种单体化合物对溃疡性结肠炎肠纤维化大鼠模型均有明显的活性。结论湿生扁蕾抗溃疡性结肠炎肠纤维化的物质基础集中在乙酸乙酯部位,活性成分主要体现为4种酮类化合物。     

党参经PI3K/Akt干预溃疡性结肠炎黏膜细胞铁死亡-线粒体动力学失衡的机制研究

目的 探究党参经磷脂酰肌醇-3-激酶（phosphatidylinositol 3-kinase,PI3K）/蛋白激酶B(protein kinase B,Akt)调控Kelch样环氧氯丙烷相关蛋白1(Kelch-like ECH-associated protein 1,Keap1)/核因子E相关因子2(nuclear factor erythroid-2related factor 2,Nrf2)/谷胱甘肽过氧化物酶4(glutathione peroxidase 4,GPX4)、线粒体动力相关蛋白1(dynamin-related protein1,DRP1)信号通路抑制氧化应激干预溃疡性结肠炎（ulcerative colitis,UC）肠黏膜细胞铁死亡-线粒体动力学失衡的分子机制。方法 采用网络药理学京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes,KEGG）通路富集分析预测党参干预UC的关键信号通路。SD大鼠采用2,4,6-三硝基苯磺酸（2,4,6-trinitrobenzene sulphonic acid,TNBS...     

Identification of flower herbs in Chinese pharmacopoeia based on DNA barcoding

Objective Flower herbs are an important category of traditional Chinese medicinal materials, some of which are used as healthcare tea in folk. However, the increasing adulteration of medicinal herbs is threatening consumer safety. The adulteration of flower herbs and their healthcare tea products in the market were investigated. Methods A total of 33 flower herb samples from several retail pharmacies in China were randomly collected and 27 flower healthcare tea samples were purchased online. They were identified using ITS2-based Traditional Chinese Medicine Database (TCMD). Additionally, Lonicerae Japonicae Flos and the adulterants were compared in the ITS2 secondary structures. Results There were one adulterant (Inulae Flos) in flower herb materials and eight adulterants in healthcare tea samples. Inula linariifolia was an adulterate species of Inulae Flos, Robinia pseudoacacia was of Sophorae Flos, and Lonicera macranthoides was of Lonicerae Japonicae Flos. Sophorae Flos and Lonicerae Japonicae Flos were two healthcare tea products with high adulteration rates. Conclusion The TCMD is powerful tool to identify flower herbs and the adulterants that frequently occurred in the flower herb market, especially online shops.     

不同茬口对当归根际土壤酶活性及其产量和品质的影响

目的 研究当归正茬、迎茬、连茬对根际土壤主要酶活性和产量品质的影响。方法 采用比色法测定不同茬口当归根际土壤中脲酶、磷酸酶、多酚氧化酶活性,采用高锰酸钾滴定法测定过氧化氢酶活性。结果 苗期和收获期连茬土壤中的脲酶和磷酸酶活性显著低于正茬,脲酶活性分别降低16.53%和37.17%,中性磷酸酶活性分别降低28.01%和30.69%;多酚氧化酶活性在整个生育期均是连茬显著高于正茬,苗期、根膨大期和收获期分别比正茬增加15.10%、83.67%、38.53%。连茬当归产量、挥发油和浸出物量均显著低于正茬,分别比正茬下降49.00%、25.26%、12.58%。结论 连茬栽培中当归产量、挥发油和浸出物量显著低于正茬;连茬栽培当归根际土壤脲酶和磷酸酶活性显著降低,而过氧化氢酶和多酚氧化酶活性呈升高趋势。     

玄参药材质量控制研究进展

综述玄参质量控制研究新进展。通过调研近年文献,表明玄参主要有效成分为环烯醚萜苷类。全国大部分地区都有栽培,但是玄参质量标准未趋于完善和规范,量化控制水平也存在不足,所以玄参质量有所差异。当前控制中药质量的发展趋势是质量控制多元化,并建立多模式多色谱系统及其联用技术的质量控质方法。玄参的质量控制模式目前主要以单指标,多指标质控,指纹图谱为主,高效液相色谱(HPLC),高效毛细管电泳(HPCE),近红外光谱(NIRS),衰减全反射光谱(ATR)等技术为系统控制和评价玄参的质量提供方法和新技术上的探索。以上对玄参化学成分和质量控制等内容提供借鉴。为玄参资源的进一步开发与利用提供依据。     

藏药唐古特青兰的显微特征研究

目的 为了更好地开发、利用藏药唐古特青兰药材,对其进行了显微特征研究.方法 通过光学显微镜对唐古特青兰的根、茎、叶各组织横切面以及粉末制成的各种装片进行观察,绘图并描述特征.结果 制成的石蜡片较清晰,按比例绘制了组织构造简图和粉末特征图,并进行了详细的特征描述.结论 所描述的特征可为唐古特青兰鉴定和质量评价提供依据.     

延胡索与川楝子配伍中总生物碱含量变化的研究

目的：测定延胡索及其与川楝子配伍中总生物碱的含量，研究中药配伍的合理性。方法：采用有机溶剂提取法对样品中生物碱进行提取，酸碱滴定法分别测定延胡索及延胡索与川楝子配伍水煎液中总生物碱的含量。结果：延胡索和延胡索与川楝子配伍中总生物碱含量分别为2．219mg／g和3．422mg／g，配伍后较延胡索单品中生物碱含量高1．203mg／g，经统计学处理，P〈0．01。结论：川楝子与延胡索配伍，对其生物碱的含量有显著的影响。