Volume 8,Issue 2,2016 Table of Contents

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  • 1  Systems Biology Strategy in Chinese Materia Medica Research
    Wei-dong Zhang Chang-Xiao Liu
    2016, 8(2):97-98. DOI: 10.1016/S1674-6384(16)60016-3
    [Abstract](573) [HTML](0) [PDF 0.00 Byte](14)
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    2  Integrated Systems Biology and Chemical Biology Approach to Exploring Mechanisms of Traditional Chinese Medicines
    Gang Bai Yuan-yuan Hou Min Jiang Jie Gao
    2016, 8(2):99-106. DOI: 10.1016/S1674-6384(16)60017-5
    [Abstract](629) [HTML](0) [PDF 0.00 Byte](12)
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    After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharmacological activities and efficacies. The development of “-omics” technology, including systems biology and network pharmacology, has enabled the illustration of TCMs from a more systematic view. Although the network adequately reflects the overall philosophy of TCMs, its complexity hinders the relevant research to a hover. In addition, the strategies involved appear to be in contrast to the original concise and efficacious disease therapy oriented focus on classic Chinese material medica (CMM). Based on the established holistic view and reductionism, in this review, we discuss an integrated systems biology and chemical biology research approach that will facilitate and accelerate the understanding of the mechanisms of TCMs. Furthermore, we are optimistic that it will elucidate the associated interactions between active natural products and their targets, and ultimately improve the strategies for complex disease therapies.
    3  Network Pharmacology-based Approaches Capture Essence of Chinese Herbal Medicines
    Yan-qiong Zhang Xia Mao Qiu-yan Guo Na Lin Shao Li
    2016, 8(2):107-116. DOI: 10.1016/S1674-6384(16)60018-7
    [Abstract](1144) [HTML](0) [PDF 0.00 Byte](10)
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    Traditional Chinese Medicine (TCM), a crucial component of the current medical system, has been extensively used in clinical practice due to its valuable therapeutic efficacy, and its potentials as an important source of new pharmacophores. TCM is characterized by holistic theory, which emphasizes maintaining the balance of the patient’s whole body using herbal formulae (fangji in Chinese) composed of mixtures of herbs with multiple bioactive ingredients. Because of the complex nature of these formulae, it is necessary to develop systematic methods to identify their bioactive ingredients and to clarify their mechanisms of action. With the rapid progress in bioinformatics, systems biology, and polypharmacology, “network pharmacology”, which shifts the “one target, one drug” paradigm to the “network target, multi-component” strategy, has attracted the attention because it can not only reveal the underlying complex interactions between a herbal formula and cellular proteins but detect the influence of their interactions on the function and behavior of the system. Growing evidence shows that the network pharmacology strategy can be a powerful approach to modern research on TCM. The present paper focuses on the basis of network pharmacology and the recent progress in its methodology, illustrates its utility in screening bioactive ingredients and elucidating the mechanisms of action of TCM herbal formulae, analyzes its limitations and problems, and discusses its development direction and application prospects.
    4  Application of Connectivity Map Database to Research on Chinese Materia Medica
    Chao Lv Yu-chong Wang Run-hui Liu Wei-dong Zhang
    2016, 8(2):117-120. DOI: 10.1016/S1674-6384(16)60019-9
    [Abstract](808) [HTML](0) [PDF 0.00 Byte](10)
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    The connectivity map (CMAP) database is established initially to connect biology, chemistry, and clinical conditions, which helps to discover the connection of disease-gene-drug. The CMAP approach has been applied in the field of drug discovery and development, which is widely recognized. In recently years, CMAP analysis has been applied in the research on Chinese materia medica (CMM). The study of CMM is facing a wide range of challenges, such as complicated ingredients, multiple targets, multiple pathways of action and complex functioning mechanism. The idea of employing CMAP in the CMM research has brought a new perspective for researchers and provides a systematic method for elucidating the mechanism of CMM.
    5  Advances in Study on Three-dimensional Printing in Pharmaceutics
    Fang Zheng Sheng-wu Huang
    2016, 8(2):121-125. DOI: 10.1016/S1674-6384(16)60020-5
    [Abstract](846) [HTML](0) [PDF 0.00 Byte](9)
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    Three dimensional printing (3DP) is a solid freeform fabrication technology which employs powder processing and a liquid binder material in the construction of parts in a layer-wise manner. 3DP can accommodate much geometric outline and be made with many materials due to its unprecedented flexibility. The technology can control over the material composition, microstructure and surface texture so it attracts great attentions in the pharmaceutics field. 3DP can offer many novel strategies and approaches for the research and is widely focused in the field of the controlled-release drug delivery systems. Through consulting a large number of documents the current development and the technical characteristics of 3DP in pharmaceutics field are discussed and reviewed. It is expected that 3DP technique may play a tremendous role in pharmaceutics field in the future.
    6  Screening and Validation of Active Ingredients in Sini Decoction by Combination Method of Pharmacophore Modeling and Molecular Docking
    Lang-dong Chen Dong-yao Wang Yan Cao Zhen-yu Zhu Yi-feng Chai
    2016, 8(2):126-132. DOI: 10.1016/S1674-6384(16)60021-7
    [Abstract](1106) [HTML](0) [PDF 0.00 Byte](14)
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    Objective To screen the active compounds in Sini Decoction showing the potential to inhibit tumor necrosis factor α (TNFα) to alleviate Doxorubicin (DOX)-induced heart failure. Methods A chemical database of Sini Decoction was constructed from literature research. The generated pharmacophore models based on TNF-α used to screen active ingredients of Sini Decoction in the database by Discovery Studio 2.5. Molecular docking by Autodock 4.2 was adopted to demonstrate the hit compounds’ affinities with TNFα. Furthermore, DOX-induced heart failure model on H9c2 cell line was constructed and cell viability was detected by CCK-8 to validate the therapeutic effect of potential active compounds. Results The higenamine showed potential cardiovascular protective effect through virtual screening. And the activity was identified in vitro. Conclusion In this study, we found that higenamine may inhibit TNF-α through virtual docking and validated that higenamine may have the potential of treatment for heart failure in the model of doxorubicin-induced myocardial toxicity to H9c2 cells.
    7  Investigation on Endogenous Metabolites in Pancreas of Diabetic Rats after Treatment by Genipin through 1H-NMR-based Metabolomic Profiles
    Ting Ling-hu Xiao-li Shen Jun-sheng Tian Xue-mei Qin
    2016, 8(2):133-138. DOI: 10.1016/S1674-6384(16)60022-9
    [Abstract](457) [HTML](0) [PDF 0.00 Byte](10)
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    Objective To investigate the change rules of endogenous metabolites in pancreas of the diabetic rats, and to explore the mechanism of genipin treatment for diabetes rats. Methods Metabolomic method based on 1H-NMR was applied, the diabetic rat model was prepared by ip injecting alloxan, and the high-, mid-, and low-dose genipin or metformin hydrochloride was ig injected as well as the rats in control and model groups were given the same volume of normal saline for 2 weeks. The pancreases of rats were collected and 1H-NMR test was conducted, the metabolomic technology was adopted to analyze the endogenous metabolite changes in pancreas. Results The high-dose genipin possessed a better hypoglycemic effect, which could increase the contents of isoleucine, phosphatidylcholine, and phosphatidylethanolamine, and significantly reduce the contents of lactic acid, alanine, glutamine, aspartic acid, and creatine in pancreas of diabetic rats. Conclusion This study provided a theoretical basis for further exploration on the pathogenesis of diabetes and the mechanism of genipin for treatment of diabetes.
    8  Molecular Simulation Study on Bentysrepinine Metabolites Improving Binding Affinity of HBV DNA Polymerase
    Min Gong Fan-cui Meng Hui-rong Fan Shi-qi Dong Yu-li Wang Ya-zhuo Li Guang-yi Liang Chang-xiao Liu
    2016, 8(2):139-142. DOI: 10.1016/S1674-6384(16)60023-0
    [Abstract](922) [HTML](0) [PDF 0.00 Byte](11)
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    Objective To study the effect of bentysrepinine (Y101) metabolites on improving binding affinity of HBV DNA polymerase. Methods The binding mode of Y101 and its metabolites with DNA polymerase has been driven by hydrophobic interaction. Results Two compounds, T2 and T4, exhibited the improvement of the binding affinity to HBV DNA polymerase protein, which suggests that the inhibitory activity against HBV DNA polymerase protein can be enhanced. Conclusion The variant docking poses of T2 and T4 might imply the novel recognition of inhibitory effects of T2 and T4, in comparison with Y101.
    9  Improving Effects of Astragalus Polysaccharides on Cardiac Function via Keap1/Nrf2-ARE Signal Pathway in Adjuvant Arthritis Rats
    Yue Sun Jian Liu Lei Wan Fang Wang Xiao-jun Zhang Ya-jun Qi
    2016, 8(2):143-153. DOI: 10.1016/S1674-6384(16)60024-2
    [Abstract](509) [HTML](0) [PDF 0.00 Byte](15)
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    Objective To observe the effect of Astragalus polysaccharides (APS) on cardiac function and expression of Keap1/Nrf2-ARE signal pathway in adjuvant arthritis (AA) rats. Methods Forty-eight rats were randomly divided into normal control (NC) group, model control (MC) group, leflunomide (LEF) group, and APS group. The AA model rats were induced with Freund’s complete adjuvant, then administration began from day 19 after modeling for 30 d. The paw swelling and arthritic index (AI), the cardiac function indexes, the expression of Keap1, maf, Nrf2 mRNAs, and HO-1, r-GCS proteins in cardiac tissues were observed. Oxidation-related substances (SOD, MDA, ROS, and TAC) and cytokines (IL-10 and TNF-α) were also determined. Results Compared with NC group, the paw swelling and AI were increased, and the body weight was decreased in MC group. HR, HI, LVSP, LVEDP, and levels of MDA, TAC, ROS, RNS, and TNF-α in MC group were increased, while dp/dtmax and levels of GSH, TRX, and IL-10 were decreased. Compared with MC group, LEF group showed higher HR and ± dp/dtmax, and lower LVEDP. In APS group, the HR, LVSP, and LVEDP were decreased and ±dp/dtmax was increased. TNF-α was decreased, TAC, ROS, MDA, and IL-10 were increased in both LEF and APS groups. APS and LEF groups also showed less MDA, TAC, ROS, and SOD, and the differences were statistically significant. Spearman correlation analysis showed that the cardiac function parameters were positively correlated with Keap1, anti-oxidant indicators, and anti-inflammation cytokines, and negatively correlated with Nrf2, oxidation indictors, pro-inflammation cytokines, and inflammation indictors. Conclusion APS can adjust the expression of Keap1/Nrf2-ARE signal pathway in AA rats, and can also improve their cardiac function. The mechanism may be involved in increasing myocardial anti-oxidant capacity, reducing oxidative stress, and inhibiting inflammation.
    10  Rapid Analysis and Identification of Absorbed Components and Their Metabolites of Yuanhu Zhitong Dropping Pill in Rat Plasma and Brain Tissue Using UPLC-Q-TOF/MS with Multivariate Statistical Analysis
    Hong-bing Zhang Tie-jun Zhang Jun Xu Xi-min Zhang Ya-zhuo Li Chang-xiao Liu
    2016, 8(2):154-163. DOI: 10.1016/S1674-6384(16)60025-4
    [Abstract](479) [HTML](0) [PDF 0.00 Byte](15)
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    Objective To establish an effective approach for rapid and comprehensive analysis on the absorbed and metabolic components in rats after ig administration of Yuanhu Zhitong Dropping Pill (YHZT). Methods Based on the combination of UPLC-Q-TOF/MS and multivariate statistical analysis, the absorbed prototype constituents and their metabolites in rat plasma were rapidly analyzed and identified, and the components absorbed into brain were further identified by comparing the extracted ion chromatograms (EICs) of control and brain tissue samples of dosed rats. Results A total of 38 YHZT-related xenobiotic compounds were detected and identified as the potential bioactive constituents in rat plasma, including 24 absorbed prototype constituents and 14 metabolites. In particular, of all prototype constituents, 14 were also detected in rat brain tissue, indicating that they could penetrate the blood-brain barrier and enter into brain. Conclusion An effective method is established and applied to analyze the potential bioactive constituents in YHZT, which provides a pathway to further investigate the pharmacological pattern and mechanism of YHZT.
    11  Induction of Solasonine on Apoptosis of Human Breast Cancer Bcap-37 Cells through Mitochondria-Mediated Pathway
    Na Li Liang Cao Yan-ru Wang Xiao-qian Tao Zhen-zhong Wang
    2016, 8(2):164-172. DOI: 10.1016/S1674-6384(16)60026-6
    [Abstract](566) [HTML](0) [PDF 0.00 Byte](11)
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    Objective To study the in vitro antiproliferative effect and probable mechanism of solasonine on human breast cancer Bcap-37 cells, meanwhile, make comparison with solamargine. Methods The cytotoxicity was evaluated by MTT assay. The cell damage and type of cell death were examined through Hoechst33342/PI and Annexin V/PI staining, respectively. Mitochondrial membrane potential was detected by JC-1 staining. The expression of Bcl-2, Bcl-xL, Bax, and cytochrome c was determined by immunoblot method, and the activation of caspase-3 was analyzed by immunocytochemistry method. Results Solasonine showed the different extents of cytotoxicity on eight human tumor cell lines as well as four human normal cell lines, and the IC50 values of solasonine ranged from 12.73 to 37.15 μmol/L. Cell apoptosis and mitochondria depolarization were observed in Bcap-37 cells after treatment with solasonine for 24 h, respectively. In immunoblot and immunocytochemistry analysis, solasonine obviously induced the up-regulation of Bax and down-regulation of Bcl-2 and Bcl-xL, caused the release of cytochrome c from mitochondria into cytosol, and increased the expression of both pro- and cleaved caspase-3. Solamargine exhibited stronger antipoliferative activity than solasonine, but the similar mechanism in Bcap-37 cells in this study. Conclusion Solasonine possesses the antiproliferative effect on tumor cells. Regulation of the levels of Bcl-2, Bcl-xL, Bax, and activation of mitochondria cytochrome c-dependent apoptosis pathway might be one of its main antitumor mechanisms against breast cancer cells. In view of the cytotoxic effect of solasonine and solamargine also shown on normal cells, the safety needs concern when the antitumor activity is studied.
    12  Effect of Chinese Materia Medica with Tonifying Kidney Function on Transplantation of Multipotency Mesenchymal Stem Cells from Human Umbilical Cord in Mice Model of Acute Kidney Injury
    Xiao-qian Chu Li Wang Wen Li Paulina Duya Yu-hong Bian
    2016, 8(2):173-181. DOI: 10.1016/S1674-6384(16)60027-8
    [Abstract](542) [HTML](0) [PDF 0.00 Byte](16)
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    Objective Mesenchymal stem cells (MSCs) represent a promising population for supporting new clinical concepts in cellular therapy, and they can be reprogrammed into induced pluripotent stem cells (iPSCs) by defined factors. Methods This method opened up a new era of stem cell research, because the transplantation rejection of iPSCs is the bottleneck of its clinical application, so seeking alternative compounds and animal origin diagnostic reagents to achieve full chemical iPSCs is to be done to solve this problem. Results The application of these iPSCs has largely been associated with well known undesirable effects such as the development of cancers in certain experimental models. This has called for the search and use of reprogramming factors that are safe. Chinese materia medica (CMM) with tonifying kidney function (TKF) offers an alternative source. On the other hand, human umbilical cord mesenchymal stem cells (hUMSCs) are known to be a “young” source of MSCs, hUMSCs transplantation is an attractive approach for acute kidney injury repair. Therefore, In this study, we investigated whether the treatment of CMM with TKF on hUMSCs could enhance the repair in mice model of acute kidney injury after transplantation. Conclusion Our results showed that the treatment of hUMSCs with kidney tonifying CMM increased their multipotency, improved the renal function of mice and enhanced subsequent homing to the injured kidney in an acute kidney injury mice model.
    13  Enzyme-assisted Extraction and Enrichment of Galanthamine from Lycoris aurea
    Chun-lian Tian Peng Wang Ji-xin Qin Xiao-pan Liu Ke Song Zhuo-bing Xiao
    2016, 8(2):182-188. DOI: 10.1016/S1674-6384(16)60028-X
    [Abstract](932) [HTML](0) [PDF 0.00 Byte](10)
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    Objective To explore the optimum condition for complex enzyme-assisted extraction of galanthamine from Lycoris aurea by L9 (34) orthogonal array design and separation effect of cation exchange resin on galanthamine. Methods Cellulase and pectinase solution was used as the extraction solvent. The effects of pH value of enzyme, amount of complex enzyme, dissociation time, and enzymatic hydrolysis temperature on the extraction results were investigated. Results The optimal conditions were obtained as follows: ratio of solid to liquid (g: mL) 1:10, pH value 4.5, amount of complex enzymes 4%, enzymatic hydrolysis temperature 50 oC, and reaction time 2.0 h. Under these conditions, the extraction yield of galanthamine was 0.0294%. In addition, D-001 cation exchange resin was selected for separation of galanthamine. The separation conditions were that adsorption flow rate was 3 BV/h with reagent of pH 2 and the desorption flow rate was 3 BV/h with 70% ethanol solution containing 1.5 mol/L ammonia. After separation, the content of galanthamine was increased to 12.31%. Conclusion The results provide a reference for industrial production of galanthamine.
    14  Three New C21 Steroidal Glycosides from Roots of Cynanchum otophyllum
    Yi-bin Zhao Yue-mao Shen Hong-ping He Zhi-zhi Du Quan-zhang Mu Xiao-jiang Hao
    2016, 8(2):189-194. DOI: 10.1016/S1674-6384(16)60029-1
    [Abstract](552) [HTML](0) [PDF 0.00 Byte](9)
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    Objective To investigate the chemical structures of glycosides in the roots of Cynanchum otophyllum (Asclepiadaceae) and to find new glycosides. Methods The total glycosides in the roots of C. olophyllum were separated by silica gel column chromatography. The structures of the resulting compounds were determined by NMR and FAB-MS spectra. Results Three C21 steroidal glycosides were separated. Their structures were determined as caudatin 3-O-(4-O-methyl-β-D-cymaropyranosyl)- (1→4)-α-D-oleandropyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-α-L-rhamnopyranoside(1), caudatin 3-O-β-D-digitoxopyranosyl-(1→4)-α-D-oleandropyranosyl-(1→4)-β-D- diginopyranosyl-(1→4)-β-D-glucopyranoside (2), and caudatin 3-O-β-D-digino- pyranosyl-(1→4)-α-D-oleandropyranosyl-(1→4)-α-D-oleandropyranosyl-(1→4)-β-D-glucopyranoside (3), respectively. Conclusion Glycosides 1?3 are new compounds.

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