治疗慢性肾病中药计算机网络药理学研究

药物分子和靶标之间的相互作用是其药理作用的基础.运用分子对接和复杂网络分析技术研究治疗慢性肾病中药所含化学成分和靶标之间的相互作用.结果显示治疗慢性肾病中药所含化学成分-靶标相互作用网络与西药的化学成分-靶标相互作用网络存在较大的差异,这说明中药的作用机制和西药的作用机制不完全相同.研究还发现补益类中药所含化学成分-靶标相互作用网络与攻逐类中药所含化学成分-靶标相互作用网络也存在较大差异,这从复杂网络研究视角阐释了古老的中药分类理论.这种研究方法可以快速筛选出治疗慢性肾病中药中的有效成分群及其关键靶标,为组分中药的研发提供实验数据.     

Computational pharmacological studies on cardiovascular disease by Qishen Yiqi Diwan

Computational pharmacological methods were used to study the distribution of 1729 compounds contained in a Chinese medicine, Qishen Yiqi Diwan, in chemical space. The results show that most of these compounds have good drug-like properties. Molecular docking was used to study the interactions between 1729 compounds of Qishen Yiqi Diwan and 26 drug targets related to cardiovascular disease and the distribution of 1729 compounds in drug-target space. The results may shed light on the action mechanism and the search for the active compounds in Qishen Yiqi Diwan.     

芪参益气滴丸治疗心血管疾病的计算药理学研究

利用计算药理学方法研究了中药芪参益气滴丸中含1729个化合物在化学空间分布,结果表明大部分化合物具有较好的类药性质．利用分子对接方法研究了1729个与26个心血管疾病相关的公认靶标的相互作用及它们在靶空间的分布,阐明了芪参益气滴丸抗血管疾病的可能作用机理及活性分子．     

Ionic liquid-based microwave-assisted extraction of rutin from Chinese medicinal plants

An ionic liquid-based microwave-assisted extraction (ILMAE) method has been developed for the effective extraction of rutin from Chinese medicinal plants including Saururus chinensis (Lour.) Bail. (S. chinensis) and Flos Sophorae. A series of 1-butyl-3-methylimidazolium ionic liquids with different anions were investigated. The results indicated that the characteristics of anions have remarkable effects on the extraction efficiency of rutin and among the investigated ionic liquids, 1-butyl-3-methylimidazolium bromide ([bmim]Br) aqueous solution was the best. In addition, the ILMAE procedures for the two kinds of medicinal herbs were also optimized by means of a series of single factor experiments and an L₉ (3⁴) orthogonal design. Compared with the optimal ionic liquid-based heating extraction (ILHE), marinated extraction (ILME), ultrasonic-assisted extraction (ILUAE), the optimized approach of ILMAE gained higher extraction efficiency which is 4.879 mg/g in S. chinensis with RSD 1.33% and 171.82 mg/g in Flos Sophorae with RSD 1.47% within the shortest extraction time. Reversed phase high performance liquid chromatography (RP-HPLC) with ultraviolet detection was employed for the analysis of rutin in Chinese medicinal plants. Under the optimum conditions, the average recoveries of rutin from S. chinensis and Flos Sophorae were 101.23% and 99.62% with RSD lower than 3%, respectively. The developed approach is linear at concentrations from 42 to 252 mg L⁻¹ of rutin solution, with the regression coefficient (r) at 0.99917. Moreover, the extraction mechanism of ILMAE and the microstructures and chemical structures of the two researched samples before and after extraction were also investigated. With the help of LC-MS, it was future demonstrated that the two researched herbs do contain active ingredient of rutin and ionic liquids would not influence the structure of rutin.     

Preparation of magnetic molecularly imprinted polymers for separating rutin from Chinese medicinal plants

The preparation of magnetic molecularly imprinted polymers (MMIPs) which can be used for the separation and purification of rutin from Chinese medicinal plants has been proposed. By applying the improved co-precipitation method, magnetic Fe(3)O(4) particles were easily prepared, followed by the modification of TEOS and functionalization with -CH=CH(2). Using functionalized Fe(3)O(4) particles as the magnetic cores, rutin as the template, and acrylamide as the functional monomer, MMIPs were synthesized by surface-imprinted polymerization under the protection of nitrogen gas and successive mechanical stirring at 60 °C for 24 h. Magnetic non-molecularly imprinted polymers (MNIPs) were also prepared with the same synthesis procedure as with MMIPs only without the presence of rutin. Magnetic particles were characterized by FT-IR, XRD, and TG analysis. And the selectivity of MMIPs was also investigated in detail. In addition, the performance of the MMIPs for the adsorption of rutin in the analysis of Chinese medicinal plants was assessed. The mean recoveries were 84.33% (RSD: 3.22%, n = 3) for Saururus chinensis (Lour.) Bail and 85.20% (RSD: 3.58%, n = 3) for Flos Sophorae, respectively, which showed that the prepared MMIPs with many advantages possess the value of practical application.     

Determination of trace elements in Chinese medicinal plants by instrumental neutron activation analysis

Roots of Astragalus membranaceus, Angelica sinensis, Glycyrrhiza uralensis and Codonopsis pilosula, which were often used as herbs in traditional Chinese medicine, were analyzed by Instrumental Neutron Activation Analysis (INAA). The samples were collected in Gansu, northwest of China and irradiated at the 15 MW heavy water reactor in China Institute of Atomic Energy (CIAE). The induced activities were counted by a well calibrated low background γ-spectrometer equipped with a high efficiency coaxial high-purity germanium (HPGe) detector. The concentrations of eighteen trace elements (Ca, Fe, Na, Zn, Ba, Rb, Ce, Cr, La, Co, Th, Cs, Sb, Sc, Sm, Hf, Eu and Tb) in the herbs were determined. Possible links between pharmacological action of the herbs and content of some elements were also discussed in this paper. The measured results were compared with the reported values in literature.     

Pressurized liquid extraction of medicinal plants

The suitability of pressurized liquid extraction (PLE) in medicinal plant analysis was investigated. PLE extracts from a selection of representative herbs were compared with extracts obtained according to Pharmacopoeia monographs with respect to yield of relevant plant constituents, extraction time and solvent consumption. In all cases a significant economy in time and solvents was realized, while extraction yields of the analytes were equivalent or higher.     

Techniques for the analysis of pentacyclic triterpenoids in medicinal plants

Triterpenes are a major class of chemical compounds found in natural plants and can be categorized into acyclic triterpenoids, monocyclic triterpenoids, tricyclic triterpenoids, tetracyclic triterpenoids, and pentacyclic triterpenoids. Among them, pentacyclic triterpenoids have gained more extensive attention due to their biological activities, including anti‐inflammation, antibacterial, antioxidation, antitumor, anti‐HIV, hepatoprotection, and immunological adjuvant properties. In this review, we summarize the extraction and analytical methods for pentacyclic triterpenoids, where more than 56 triterpenes from 49 kinds of plants were involved. The analysis methods include gas chromatography, liquid chromatography, capillary electrophoresis, thin‐layer chromatography, supercritical fluid chromatography, NMR spectroscopy, and X‐ray spectroscopy. This review provides valuable reference for the determination of pentacyclic triterpenoids in medicinal plants.     

Traditional uses of medicinal plants for respiratory diseases in Transylvania

Inhabitants of some Transylvanian farms in Romania have a valuable archaic knowledge of medicinal plants because of their isolation and the insufficiency of official medical treatment. In this work we present ethnobotanical data about the use of medicinal plant taxa for various respiratory diseases in the villages L?véte and Nagybacon. Altogether 34 plant taxa were documented in L?véte and 26 species in Nagybacon with 15 concordant data of the villages. This information plays an important role in the documentation of the disappearing indigenous medical information of the villages.     

Evaluation of traditional Chinese medicinal plants for anti-MRSA activity with reference to the treatment record of infectious diseases

The in vitro antimicrobial activities of 30 Chinese medicinal plants were evaluated with reference to the treatment record of infectious diseases in the Traditional Chinese Medicine (TCM) literature. The plant materials were extracted with 80% ethanol and the extracts were primarily screened against conventional clinical pathogens like Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Candida albicans by the agar diffusion method. Their inhibition zone diameters (IZDs, mm, 50 mg/mL) ranged from 2,048 by the standard broth microdilution method. The seven extracts from M. yunnanensis, S. sinensis, G. morella, E. daneillii, M. squamulata, S. arborescens and B. hancei were determined as the most active extracts, with MICs of 8-64 μg/mL. The results were in good agreement with their traditional applications in skin and other infections.     

Microchemical investigation of medicinal plants. IX

Summary A procedure is described to hydrolyzeg-amounts of scopolamine in alkaline medium using a capillary tube, followed by separation and identification of the products by thin-layer chromatography. Scopine can be recovered when the reaction is carried out at 25° for 1 hour, while scopoline is the major product at 100°. Both atropine and homatropine yield tropine at 25° for 1 hour. In contrast, apoatropine remains unchanged under these conditions.

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Zusammenfassung Ein Verfahren zur Hydrolyse von Mikrogrammengen Scopolamin in alkalischem Medium in einem Kapillarröhrchen wurde beschrieben. Die Hydrolyseprodukte wurden anschließend durch DC getrennt und identifiziert. Man erhält Scopin, wenn die Hydrolyse l Stunde bei 25° vorgenommen wird; bei 100° ist Scopolin das Hauptprodukt. Atropin und Homatropin geben bei 25° in l Stunde Tropin. Im Gegensatz dazu bleibt Apoatropin unter diesen Bedingungen unverändert.

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For Part VIII see Mikrochim. Acta [Wien] 1970, 670. Inquiries and requests for reprints of this series of papers should be addressed to Prof. T. S. Ma, Department of Chemistry, City University of New York, Brooklyn, N. Y. 11210.     

Microchemical investigation of medicinal plants. III

Summary A method is described for the isolation ofp-hydroxybenzoic acid from the catalpa seed and the estimation of its yield. The dry seeds are defatted with petroleum ether, and then successively extracted with methanol, water, and ether.p-Hydroxybenzoic acid in the ether-soluble fraction is separated by paper chromatography and detected by the color reaction using diazotizedp-nitroaniline-Na₂CO₃. The acid is eluted from the chromatogram and its weight determined. The results are checked by comparative ultraviolet spectrophotometry using an authentic sample.A yellow crystalline compound (m. p. 218.5–219.5°) has been obtained from the catalpa seed. Methylation and acetylation on the mg-scale have been carried out. Spectroscopic investigation and the study of the chemical reactions of these products are in progress.

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Zusammenfassung Eine Methode zur Isolierung von p-Hydroxybenzoesäure aus Catalpa-Samen und zur Abschätzung der Ausbeute wurde beschrieben. Die trockenen Samen werden mit Petroläther entfettet und dann hintereinander mit Methanol, Wasser und Äther extrahiert. Die p-Hydroxybenzoesäure wird aus der ätherlöslichen Fraktion papierchromatographisch abgetrennt und durch eine Farbreaktion mit diazotiertem p-Nitroanilin und Soda nachgewiesen. Die Säure wird aus dem Chromatogramm eluiert und ihr Gewicht bestimmt. Die Ergebnisse wurden UV-spektrophotometrisch mit bekannten Proben verglichen.Eine gelb kristallisierende Verbindung (Fp. 218,5 bis 219,5° C) wurde aus Catalpa-Samen erhalten. Sie wurde im Milligrammaßstab methyliert und acetyliert. Die spektroskopische Untersuchung und die Prüfung des chemischen Verhaltens dieser Produkte sind in Arbeit.

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This paper is taken from the Master's Thesis ofJ. L. Hirshman, June, 1959.     

Antioxidant activity of some Turkish medicinal plants

DPPH, superoxide and nitric oxide radical scavenging activities and total phenolic content (TPC) of some less known plants, distributed in Burdur-Antalya provinces and consumed both as food and for the medicine, Asplenium ceterach L. (golden herb), Valeriana dioscoridis Sm. (valerian), Doronicum orientale Hoffm. (tiger herb), Cota pestalozzae (Boiss.) Boiss. (camomile), Eremurus spectabilis M. Bieb. (foxtail lily), Asphodeline lutea (L.) Rchb. (asphodel) and Smyrnium connatum Boiss. and Kotschy (hemlock) were investigated. As a result, the highest 2,2-diphenyl-1-picril hydrazyl (DPPH) radical scavenging activity was determined in C. pestalozzae extract (IC₅₀ = 18.66 μg mL^? 1), the highest superoxide and nitric oxide radical scavenging activity was determined in A. ceterach extract (IC₅₀ = 145.17 and 372.03 μg mL^? 1). The highest TPC was determined in A. ceterach extract (59,26 μg mL^? 1) as gallic acid equivalent. Further bioactivity and phytochemistry studies on these plants may enlighten new drug discovery researches.     

Microchemical investigation of medicinal plants. IV

Summary Chemical reactions and classification tests of the yellow crystalline solid isolated from the seeds of the catalpa tree have been carried out in the mg-scale. The compound contains only carbon, hydrogen and oxygen. but elemental analysis could not decide the molecular formula to be C₁₄H₁₂O₅ or C₁₇H₁₄O₆. Functional group determinations have established the presence of 2 hydroxyl and 2 methoxyl groups. A report on spectroscopic investigations will follow.

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Zusammenfassung Chemische Reaktionen und Vorproben für die gelbe kristallisierte Substanz aus dem Samen des Catalpa-Baumes wurden im Milligrammaßstab ausgeführt. Die Substanz enthält nur C, H und O, aber es gelang durch Elementaranalyse nicht, zwischen den Formeln C₁₄H₁₂O₅ und C₁₇H₁₄O₆ zu entscheiden. Zwei Hydroxyl- und zwei Methoxylgruppen wurden nachgewiesen. Ein Bericht über spektroskopische Untersuchungen ist in Vorbereitung.

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For Part III see Mikrochim. Acta [Wien]1968, 262.     

Antiradical efficiency of 20 selected medicinal plants

The antioxidant system of a plant comprises a group of chemicals that are highly diverse in their sources, effects and uses. These antioxidants are capable of contracting and damaging free radicals. This investigation deals with a screening and comparison of the antioxidant activities of 20 selected medicinal plants and their parts, individually and in combination with vitamins A, C or E, using the DPPH radical scavenging method. Phyllanthus emblica L., Santalum album L., Syzygium cumini L. and Trigonella foenum-graecum L. presented highly significant antiradical efficiency (AE) singly and in combination with either vitamin A, C or E. Further, Curcuma longa L., Momordica charantia L., S. cumini, T. foenum-graecum, Moringa oleifera Lam and S. album have also shown fairly significant AE in a vitamin combination dose of 0.001 mM concentration.