Volume 7,Issue 1,2015 Table of Contents

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  • 1  Integrated Network Research will Advance Traditional Chinese Medicine Innovating Development
    Liang Liu
    2015, 7(1):1-2. DOI: 10.1016/S1674-6384(15)60013-2
    [Abstract](807) [HTML](0) [PDF 0.00 Byte](9)
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    2  Network Pharmacology Bridges Traditional Application and Modern Development of Traditional Chinese Medicine
    Chang-xiao Liu Rui Liu Hui-rong Fan Xue-feng Xiao Xiao-peng Chen Hai-yu Xu Yan-ping Lin
    2015, 7(1):3-17. DOI: 10.1016/S1674-6384(15)60014-4
    [Abstract](868) [HTML](0) [PDF 0.00 Byte](11)
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    Traditional Chinese medicine (TCM) has developed over thousands of years and has accumulated abundant clinical experience, forming a comprehensive and unique medical system. Emerging evidence has begun to illustrate TCM as an area of important medical rediscoveries. This review article briefly introduced the concept, significance, and technology of network pharmacology based on network biology and systems biology. It focused on the theoretical system and potential prospect of TCM network applied in TCM research and development including predicting new drug targets, action mechanism, new drug discovery; evaluating pharmacodynamics, pharmacokinetics, safety, toxicology, quality control, and bioinformatics of drugs. We also discussed the opportunities and challenges in the development and application of network pharmacology in the modernization of TCM research.
    3  Network Pharmacology for Traditional Chinese Medicine Research: Methodologies and Applications
    Yu-feng Liu Ni Ai Anthony Keys Xiao-hui Fan Min-jun Chen
    2015, 7(1):18-26. DOI: 10.1016/S1674-6384(15)60015-6
    [Abstract](1000) [HTML](0) [PDF 0.00 Byte](17)
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    The inception of network pharmacology comes from the advance in “multi-target, multi-drug” paradigm and opens up a new field for pharmaceutical science. Traditional Chinese medicine (TCM) is well-known for its use of medicinal herb combinations to treat the functional disorders induced by diseases through a holistic view, which naturally followed the principal of network pharmacology. In this review, the methodologies of network pharmacology in TCM studies were summarized. Specifically, the methodologies for network construction and network analysis were discussed in detail by following several TCM study cases. The perspectives for TCM network pharmacology were also provided.
    4  Development and Application of Network Toxicology in Safety Research of Chinese Materia Medica
    Xing Zhang Hui-rong Fan Ya-zhuo Li Xue-feng Xiao Rui Liu Jing-wen Qi Jie Wang Zong-peng Zhang Chang-xiao Liu Xiu-ping Shen
    2015, 7(1):27-38. DOI: 10.1016/S1674-6384(15)60016-8
    [Abstract](1342) [HTML](0) [PDF 0.00 Byte](9)
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    Network toxicology that is an important branch of the network pharmacology emerges on the basis of network biology. It refers to study on the toxicological features of a constructed network model which is used to analyze toxic substances and their interaction and regulation in biological systems, particularly investigate the toxic effects of drugs and/or compatibility of medicines on body, and clarify the mechanism of toxicity. Network toxicology currently develops rapidly in safety prediction of Chinese materia medica (CMM). The application of network toxicology to safety and toxicology study on CMM is extremely beneficial to identify the toxic components and potential incompatibility of CMM. Since CMM is a complex system with multi-components, multi-targets, and multi-interactions, the network toxicology in safety prediction of CMM faces three great challenges, including integration studies of bioinformatics, innovation of methods, and tools and risk assessment in future development of the network toxicology in CMM research. In this paper, relevant database, approaches and tools that network toxicology utilized in the safety study of CMM were carefully reviewed. Based on the progress made, the scientific development and modernization of CMM will be greatly enhanced.
    5  In Silico Molecular Docking Study of Repensine and Bentysrepinine against HBV DNA Polymerase
    Fan-cui Meng Wei-ren Xu Ya-zhuo Li Zheng-ming Huang Guang-yi Liang Chang-xiao Liu
    2015, 7(1):39-44. DOI: 10.1016/S1674-6384(15)60018-1
    [Abstract](787) [HTML](0) [PDF 0.00 Byte](14)
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    Bentysrepinine (Y101), a derivative of repensine, is a novel di-peptide structure isolated from Dichondra repens. In vitro and in vivo tests exhibited that bentysrepinine markedly inhibited DNA-HBV and cccDNA activities. The binding mode of Y101 and repensine with DNA polymerase was driven by hydrophobic interactions. This might provide novel recognition of inhibitory effect of Y101 against HBV, though its inhibition mechanism needs to be validated by bio-assay at cellular level and of polymerase activity. Preliminary docking study suggested that Y101 might be able to inhibit HIV inverse transcriptase, also have the potential to interact with DNA polymerase and HCV NS5B polymerase.
    6  Native Medicinal Plant Richness Distribution Patterns and Environmental Determinants of Xinjiang, Northwest China
    Li-ping Li Ben-gang Zhang Pei-gen Xiao Zhao Zhang Yao-dong Qi Xiao-jin Li Guo-ping Wang Hai-tao Liu
    2015, 7(1):45-53. DOI: 10.1016/S1674-6384(15)60019-3
    [Abstract](1211) [HTML](0) [PDF 0.00 Byte](12)
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    Objective To comprehensively map the distribution patterns of native medicinal plants of Xinjiang Uygur Autonomous Region, China; To find the environmental determinants and to give suggestions for the conservation planning of medicinal plants in Xinjiang region. Methods First, we compiled the distribution data of native medicinal plants at a county level in Xinjiang region, including the source plants of traditional Chinese medicine (TCM), Uygur medicine (UM) and Kazak medicine (KM); Second, we divided the distribution data into grid with a resolution of 0.1° × 0.1° and overlaid it on the topography and climate data in Arcgis 10.0; Finally, we analyzed the correlations of medicinal plant richness and environmental variables with ordinary least square (OLS) regressions and partial regressions. Results UM has more non-native species of Xinjiang than KM. The species richness of medicinal plants is high in Altay Mountains, western Tianshan Mountains and part of Kunlun Mountains. The richness of medicinal plants is highly correlated with the vascular plant species richness and climate, and further, the independent effects of vascular plant species richness are more than the independent effects of climate. The whole plant, root and rhizome, and seed and fruit are more frequently used than stem and leaf for TCM in Xinjiang region. Conclusion The distribution patterns of medicinal plants are concordant with vascular plant species, which could be carefully considered in the conservation planning of this region. Current nature reserve is a low-costing approach to conservation of medicinal plants although they were not originally established for medicinal plant protection. Nevertheless, it is urgent to further study distributions and protection status of medicinal plants in the nature reserves of Xinjiang region.
    7  Chemical Analysis of Xueshuantong Lyophilized Powder by LC-MS Profiling
    Ming Chen Wen-zhi Yang Wan-ying Wu De-an Guo
    2015, 7(1):54-61. DOI: 10.1016/S1674-6384(15)60020-X
    [Abstract](760) [HTML](0) [PDF 0.00 Byte](12)
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    Objective To elucidate the chemical components of Xueshuantong (XST) Lyophilized Powder and primarily disclose the chemical difference between XST and Panax notoginseng roots. Methods Liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MSn) was used to profile the saponins in XST and P. notoginseng. Structural elucidation was based on spectral analyses of negative and positive ESI-MS3 data, and the comparison of the retention behaviors. Results The optimized LC-MS profiling approach enabled resolution of major saponins. The negative mode ESI-MS3 fragmentation gave diagnostic information on the nature (neutral loss 162 Da for Glc, 146 Da for Rha, and 132 Da for a pentose) and sequence (priority: terminal > inner) of sugars and sapogenins (m/z 475 for protopanaxatriol; m/z 459 for protopanaxadiol), while the intact glycosyl portion could be characterized by characteristic Z0α+, Cnα+, and Cnβ+ (n = 2 or 3) obtained in the positive mode. Ultimately, a total of 30 saponins were characterized from XST. Compared with the roots of P. notoginseng, three malonyl-ginsenosides, ginsenoside Rd, and gyponoside XVII (or its isomer) were almost undetectable, and showed potential significance for their differentiation. Conclusion The established LC-MS profiling approach is powerful for the chemical analysis of P. notoginseng and its preparations such as XST.
    8  Analysis on Chemical Constituents of Chinese Materia Medica Formulation Sini Decoction by HPLC-DAD-MS/MS
    Liang Li Jun-shan Yang
    2015, 7(1):62-68. DOI: 10.1016/S1674-6384(15)60021-1
    [Abstract](854) [HTML](0) [PDF 0.00 Byte](8)
    Abstract:
    Objectives To develop a high-performance liquid chromatography (HPLC) tandem mass spectrometry method for screening and identifying the multiple constituents in the complex Chinese materia medica (CMM) formulation Sini Decoction. Methods The chemical constituents in Sini prescription as an entirety were isolated and analyzed by HPLC coupled with electrospray ionization ion-trap mass spectrometry (ESI-IT-MS) in order to clarify the chemical components of Sini Decoction and explore the chemical methods of studying CMM prescriptions. Results Twenty-five compounds were isolated from the water extract of this decoction. Through chemical and spectral analyses, the structures of 20 compounds were elucidated, including 15 flavonoids, one triterpene, two coumarins, and two other types of compounds. By using HPLC-DAD-MSn technique, the MSn cleavage behaviors of the flavonoids have been summarized as well as the origin of the isolated compounds was assigned. Conclusion The phytochemical compositon of Sini prescription is tentatively characterized by HPLC-DAD-ESI-IT-MSn. The results of the experiments demonstrate that the combination of HPLC and ESI-MSn is a sensitive and effective tool for rapidly investigating the complex CMM formulations.
    9  Concentration Prediction of Total Flavonoids in Aurantii Fructus Extraction Process: Locally Weighted Regression versus Kinetic Model Equation Based on Fick’s Law
    Yang Chen
    2015, 7(1):69-74. DOI: 10.1016/S1674-6384(15)60022-3
    [Abstract](713) [HTML](0) [PDF 0.00 Byte](9)
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    Objective To predict the total flavonoids concentration of Aurantii Fructus fried with bran in its extraction process. Methods Ultraviolet spectrophotometry was used to determine the concentration of total flavonoids in different extraction time (t ) and solvent load (M ). Then the predicted procedure was carried out using the following data: 1) based on Ficks second law, the parameters of the kinetic model could be deduced and the equation was established; 2) Locally weighted regression (LWR) code was developed in the WEKA software environment to predict the concentration. And then we used both methods to predict the concentration of total flavonoids in new experiments. Results After comparing the predicted results with the experimental data, the LWR model had better accuracy and performance in the prediction. Conclusion LWR is applied to analyze the extraction process of Chinese herb for the first time, and it is totally fit for the extraction. LWR-based system is a more simple and accurate way to predict than the established equation. It is a good choice especially for a process which exists no clear rules, and can be used in the real-time control during the process.
    10  Simultaneous Determination of Five Hydrophilic and Lipophilic Components from roots of Salvia miltiorrhiza by HPLC
    Li-lan Lu
    2015, 7(1):75-79. DOI: 10.1016/S1674-6384(15)60023-5
    [Abstract](800) [HTML](0) [PDF 0.00 Byte](8)
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    Objective A reversed-phase HPLC method was established for the simultaneous determination of five hydrophilic and lipophilic components in the roots of Salvia miltiorrhiza. Methods Hydrophilic components including danshensu, protocatechuic aldehyde, and salvianolic acid B, and lipophilic components such as cryptotanshinone and tanshinone IIA, were successfully separated on a Waters Symmetry C18 reverse- phase column (250 mm × 4.6 mm, 5 μm), with acetonitrile-0.5% phosphoric acid (gradient elution) as mobile phase, the detection wavelength was set at 281 nm with flow rate of 1.0 mL/min, and the column temperature was maintained at 30 °C. Results The recovery of the method was in the range of 95.1%–102.5% and the precision was less than 3% for all five analytes. All the compounds showed good linearity (R2 > 0.9990) in a relatively wide concentration range. Therefore, this HPLC method demonstrated good reproducibility, stability, and accuracy in validation studies. Conclusion Simultaneous quanti?cation of the multiple components by HPLC would be a better strategy for the quality evaluation on the roots of S. miltiorrhiza.
    11  Antipyretic Effects of Liposoluble Fractions of Viola yedoensis
    Ying-yi Pan
    2015, 7(1):80-87. DOI: 10.1016/S1674-6384(15)60024-7
    [Abstract](664) [HTML](0) [PDF 0.00 Byte](8)
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    Objective To clarify the antipyretic effect of the Chinese materia medica, Violae Herba (Viola yedoensis), and its active fractions by examining the effects of V. yedoensis extracts with differing polarities on body temperature, total white blood cell (WBC) count, WBC differential count, and total serum complement of rabbits with lipopolysaccharide (LPS)-induced fever. Methods The rabbits were treated with water and ethanolic extracts of V. yedoensis, as well as petroleum ether, ethyl acetate, and n-butanol fractions of the ethanolic extract at low-, mid- and high- doses. The LPS was injected via the ear vein of rabbits in model and treatment groups 30 min post-gavage. Their body temperature was measured at 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 4.0, 4.5, 5.0, 5.5, and 6.0 h after the LPS challenge to calculate the temperature changes and thermal response index. After the last temperature measurement, blood samples were collected to determine the blood cell counts and total serum complement (CH50) level. Results Compared with the model group, body temperature was significantly lower in the low-dose ethanolic extract group, low- and mid-dose petroleum ether fraction groups, and all three ethyl acetate fraction groups. Serum CH50 levels were lower in all treatment groups, except the ethanolic extract groups, than that in the model group, with no significant difference. V. yedoensis had no significant effect on the blood cells of febrile rabbits challenged with LPS for 6 h. Conclusion The antipyretic effects of V. yedoensis are strong, and its active fractions are the petroleum ether and ethyl acetate fractions of ethanolic extract.
    12  Effect of Autotoxicity and Soil Microbes in Continuous Cropping Soil on Angelica sinensis Seedling Growth and Rhizosphere Soil Microbial Population
    Xin-hui Zhang
    2015, 7(1):88-93. DOI: 10.1016/S1674-6384(15)60025-9
    [Abstract](1198) [HTML](0) [PDF 0.00 Byte](5)
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    Objective To study the effect of autotoxicity and the co-effect of autotoxicity and soil microbes from continuous cropping soil on Angelica sinensis growth, root yield and content of essential oils, and soil microbal population. Methods The pot experiments were conducted upon A. sinensis seedlings in continuous cropping soil. At the different growth stages, we determined the seedlings in growth parameters, root yield, content of essential oils, ethanol extract, and cultivable microbial populations in rhizosphere soil. Results A. sinensis seedlings were significantly inhibited in growth, root yield and quality. Compared with the control, the composition and structure of soil microbes were changed and the diversity indexes of bacteria functional groups were reduced in rhizosphere soil of A. sinensis. A. sinensis cropping problems were more seriously after the treatment with combination of autotoxicity and soil microbes than with autotoxicity alone. Conclusion The autotoxicity and soil microbes from continuous cropping soil of A. sinensis could cause the continuous cropping obstacle together.

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