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	1. Discovery of Lead Pseudopeptides for Drug Design
	Zhao Ming,Wang Yuji,Xu Yanxia,Wu Jianhui,Kang Guifeng,Peng Shiqi
	Pharmacy 04 August 2010
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	Abstract:The discovery of lead compounds is a key step to drug design. Pseudopeptide is one of the most important lead structures. Various pseudopeptides could be prepared either based on the structures or based on the action mechanisms. For the design of the anti-thrombotic, thrombolytic, anti-tumor, anti-osteoporosis and lead detoxifica- tion drugs, in the past years we published numerous pseudopeptides of alkaloid- peptides, heterocyclics-peptides, steroid-peptides, saccharide-amino acids and so on. This paper reviewed the pharmacological benefits of some pseudopeptides of our laboratory.
	TO cite this article:Zhao Ming,Wang Yuji,Xu Yanxia, et al. Discovery of Lead Pseudopeptides for Drug Design[OL].[ 4 August 2010] http://en.paper.edu.cn/en_releasepaper/content/4380631


	2. The Preparation of Core/Shell Nanofibers by Electrospinning: Applications in Tissue Engineering and Drug Delivery
	Yang Guorui,Yan wei
	Pharmacy 18 June 2010
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	Abstract:Electrospinning is a simple and versatile technique that can generate continuous fibers with diameters ranging from a few micrometers to a few nanometers. In the recent years, much progress has occurred in electrospinning. A myriad of functional polymers have been electrospun, and many new nanostructures such as hollow, core/shell and porous fibers have been obtained. This paper highlights the usage of electrospinning in the fabrication of core/shell nanofibers, as well as the efforts made to improve their application in tissue engineering and drug delivery. The studies presented indicate that core/shell nanofibers afford the opportunity to engineer scaffolds with topography on a micro to nanoscale, and a high porosity akin to that found in the natural extracellular matrix (ECM). Such nanofibers can provide sustained drug release as well as mitigate the initial burst release that occurs with traditional polymer/drug blends.
	TO cite this article:Yang Guorui,Yan wei. The Preparation of Core/Shell Nanofibers by Electrospinning: Applications in Tissue Engineering and Drug Delivery[OL].[18 June 2010] http://en.paper.edu.cn/en_releasepaper/content/4376582

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	3. NQO1-mediated redox cycle underlies tanshinone IIA induced cytotoxicity and apoptosis in non-small-cell lung cancer cells
	Yu Guo,Hao Haiping,Wang Qiong,Liu Fang,Wu Xiaolan,Zhou Fang,Lai Li,Sun Shiqin,Liu Miao,Wang Guangji
	Pharmacy 20 May 2010
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	Abstract:ITanshinone IIA (TSA) has been well defined a promising anti-cancer compound; however, its intracellular target remains unclear. Based on our previous finding that the NAD(P)H:quinone oxidoreductase (NQO1) reduced TSA to form a highly unstable catechol intermediate which auto-oxidized back to TSA, we hypothesized herein that NQO1 was the potential intracellular target of TSA to elicit its anti-tumor activity. In a pair of non-small-cell lung cancer cell lines, we found TSA exhibited a potent cytotoxic and apoptotic effect in NQO1+ A549 cells, but not in NQO1- H596 cells. In contrast, TSA exhibited efficient and almost identical uptake in A549 and H596 cells. Dicoumarol (DIC), a specific inhibitor of NQO1, could reverse largely the cytotoxic and apoptotic effect of TSA in A549 cells. TSA induced an excessive generation of reactive oxygen species, DNA damage, and G0/G1 phase arrest in A549 cells, whereas very little of such effects were observed in H596 cells and DIC pretreated A549 cells. N-acetyl cysteine also abolished almost all test aspects of TSA induced cytotoxic effects. TSA induced apoptotic cell death seemed to be p53 independent, because pifithrin-α pretreatment exerted little influence on TSA induced apoptosis and cytotoxcity, and TSA synergized DIC effect on decreasing p53 protein level. In conclusion, the present study suggests that NQO1 is likely the intracellular target of TSA, and that the NQO1 catalyzed futile redox cycle leading to the generation of ROS plays a pivotal role on TSA induced apoptotic and cytotoxic effects in NSCLC cells.
	TO cite this article:Yu Guo,Hao Haiping,Wang Qiong, et al. NQO1-mediated redox cycle underlies tanshinone IIA induced cytotoxicity and apoptosis in non-small-cell lung cancer cells[OL].[20 May 2010] http://en.paper.edu.cn/en_releasepaper/content/4373134


	4. Down-regulation of NR2B receptors partially contributes to analgesic
	Chen Lei ,Sun Wenji ,Zhao Minggao
	Pharmacy 17 March 2010
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	Abstract:Gentiopicroside is one of the secoiridoid compound isolated from Gentiana lutea. It exhibits analgesic activities in the mice. The anterior cingulate cortex (ACC) is a forebrain structure known for its roles in pain transmission and modulation. Painful stimuli potentiate the prefrontal synaptic transmission and induce glutamate NMDA NR2B receptor expression in the ACC. But little is known about Gentiopicroside on the persistent inﬂammatory pain and chronic pain-induced synaptic transmission changes in the ACC. The present study was undertaken to investigate its analgesic activities and central synaptic modulation to the peripheral painful inﬂammation. Gentiopicroside produced signiﬁcant analgesic effects against persistent inﬂammatory pain stimuli in mice. Systemic administration of Gentiopicroside signiﬁcantly reversed NR2B over-expression during the chronic phases of persistent inﬂammation caused by hind-paw administration of complete Freunds adjuvant (CFA) in mice. Whole-cell patch clamp recordings revealed that Gentiopicroside signiﬁcantly reduced NR2B receptors mediated postsynaptic currents in the ACC. Our ﬁndings provide strong evidence that analgesic effects of Gentiopicroside involve down-regulation of NR2B receptors in the ACC to persistent inﬂammatory pain.
	TO cite this article:Chen Lei ,Sun Wenji ,Zhao Minggao . Down-regulation of NR2B receptors partially contributes to analgesic[OL].[17 March 2010] http://en.paper.edu.cn/en_releasepaper/content/40796


	5. Regioselective glucuronidation of tanshinone IIa following quinone reduction: identification of human UDP-glucuronosyltransferases, species differences, and interaction potentials
	Wang Qiong,Wang Guangji,Zhu Xuanxuan,Yu Guo,Lai Li,Liu Yitong, , ,
	Pharmacy 20 January 2010
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	Abstract:We have previously identified that the NQO1 mediated quinone reduction and subsequent glucuronidation is the predominant metabolic pathway for tanshinone IIa (TSA) in rats. The present study contributes to the further research on its glucuronidation enzyme kinetics, the identification of human UDP-glucuronosyltransferase (UGT) isoforms, and the interaction potentials. A pair of regioisomers of reduced TSA glucuronides was found from human, rats and mice, whereas only M1 was found in dog liver S9 incubations. The overall glucuronidations clearance of TSA in human liver S9 was 11.8±0.8μl/min/mg protein, 0.7, 0.8, and 3 fold of that in the mice, rats and dogs, respectively. Using CLint M2/M1 as a regioselective index, opposite regioselectivity was found between human (0.7) and mice (1.3), whereas no significant regioselectitvity was found in rats. In a sequential metabolism system by applying human liver cytosol as a NQO1 donor in combination with a panel of 12 recombinant human UGTs screen, multiple UGTs were found involved in the M1 formation, whereas only UGT1A9 and to a very minor extent of UGT1A1 and 1A3 contributed to the M2 formation. Further enzyme kinetics, correlation, and chemical inhibition studies confirmed that UGT1A9 played the major role for both M1 and M2 formations. In addition, TSA presented potent inhibitory effect on the glucuronidations of typical UGT1A9 substrates propofol and MPA, with an IC50 value at 8.4±1.8μM and 8.9±1.9μM respectively. This study would be helpful for guiding the future studies on characterizing the NQO1 mediated reduction and subsequent glucuronidations of other quinones.
	TO cite this article:Wang Qiong,Wang Guangji,Zhu Xuanxuan, et al. Regioselective glucuronidation of tanshinone IIa following quinone reduction: identification of human UDP-glucuronosyltransferases, species differences, and interaction potentials[OL].[20 January 2010] http://en.paper.edu.cn/en_releasepaper/content/39224


	6. A comparison of different electrostatic potentials on prediction accuracy in CoMFA and CoMSIA studies
	Li Minyong
	Pharmacy 15 December 2009
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	Abstract:Computational chemistry is playing an increasingly important role in drug design and discovery, structural biology, and quantitative structure-activity relationship (QSAR) studies. For QSAR work, selecting an appropriate and accurate method to assign the electrostatic potentials of each atom in a molecule is a critical first step. So far several commonly used methods are available to assign charges. However, no systematic comparison of the effects of electrostatic potentials on QSAR quality has been made. In this study, twelve semi-empirical and empirical charge-assigning methods, AM1, AM1-BCC, CFF, Del-Re, Formal, Gasteiger, Gasteiger-Hückel, Hückel, MMFF, PRODRG, Pullman, and VC2003 charges, have been compared for their performances in CoMFA and CoMSIA modeling using several standard datasets. Some charge assignment models, such as Del-Re, PRODRG, and Pullman, are limited to specific atom and bond types, and, therefore, were excluded from this study. Among the remaining nine methods, the Gasteiger-Hückel charge, though commonly used, performed poorly in prediction accuracy. The AM1-BCC method was better than most charge-assigning methods based on prediction accuracy, though it was not successful in yielding overall higher cross-validation Pearson correlation coefficient (q2) values than others. The CFF charge model worked the best in prediction accuracy when q2 was used as the evaluation criterion. The results presented should help the selection of electrostatic potential models in CoMFA and CoMSIA studies.
	TO cite this article:Li Minyong. A comparison of different electrostatic potentials on prediction accuracy in CoMFA and CoMSIA studies [J].


	7. Modeling the Interaction between Glycogen Synthase Kinase 3β (GSK-3β) and Its Non-ATP Competitive Inhibitors
	Yong Chu,Keng-Chang Tsai,Deyong Ye,Minyong Li
	Pharmacy 27 September 2009
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	Abstract:Glycogen synthase kinase-3 (GSK-3) plays an important role in a diverse number of regulatory pathways. GSK-3 inhibitors, particularly the non-ATP-competitive inhibitors, have been evaluated as promising drug candidates for a lot of unmet pathologies, such as Alzheimer’s disease and diabetes. In this paper, a molecular docking study with the published GSK-3β crystal structure and receptor-based pharmacophore modeling of four highly active non-ATP-competitive GSK-3 inhibitors were performed by DOCK 5.4 and Catalyst 4.11, respectively. The results could provide an exquisite understanding on their mechanism of interaction within the non-ATP-binding pocket of GSK-3β, meanwhile the finding of the common properties shared by these pharmacological inhibitors of GSK-3β could be helpful to further chemical optimization of such potent drug candidates.
	TO cite this article:Yong Chu,Keng-Chang Tsai,Deyong Ye, et al. Modeling the Interaction between Glycogen Synthase Kinase 3β (GSK-3β) and Its Non-ATP Competitive Inhibitors[OL].[27 September 2009] http://en.paper.edu.cn/en_releasepaper/content/35514


	8. 3D-QSAR and docking studies of suberoylanilide hydroxamic like analogues inhibitors of Histone deacetylase
	Bai Xue ,Min Ji ,Hongtao Wei ,Aijun Lu,Jian Liu
	Pharmacy 23 June 2009
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	Abstract:Histone deacetylase (HDAC) inhibition is a recent, clinically validated therapeutic strategy for cancer treatment. 3D-QSAR studies of some suberoylanilide hydroxamic acid (SAHA) like analogues were performed by comparative molecular field analysis (CoMFA) to rationalize the structural requirements responsible for the inhibitory activity of these compounds. The docking results provided a reliable conformational alignment scheme for 3D-QSAR model. Based on the docking conformations, highly predictive comparative molecular field analysis (CoMFA) was performed with a cross-validated q2 of 0.684. The non-cross-validated analysis with 3 optimum components revealed a conventional r2 value of 0.948, F=127.023, and an estimated standard error of 0.165. Furthermore, the 3D-QSAR models were mapped back to the binding site of the HDLP, to get a better understanding of vital interactions between the hydroxamic acids and the zinc. Based on the docking and CoMFA analyses, we have identified some key features in the histone deacetylase inhibitors that are responsible for HDAC inhibitory activity. The analyses may be used to design more potent histone deacetylase inhibitors and predict their activity prior to synthesis.
	TO cite this article:Bai Xue ,Min Ji ,Hongtao Wei , et al. 3D-QSAR and docking studies of suberoylanilide hydroxamic like analogues inhibitors of Histone deacetylase[OL].[23 June 2009] http://en.paper.edu.cn/en_releasepaper/content/33361


	9. A Rapid and Reliable Method for Pharmacokinetics Study of tilidine and its metabolite
	Li Sun,Jin Ouyang,LiYang Shen,GuoZhu Xu,YanPing Deng
	Pharmacy 13 April 2009
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	Abstract:In this article, we established a rapid and feasible gas chromatography method for the detection of tilidine and its active metabolite nortilidine in human plasma, and investigated the pharmacokinetics of tilidine in Chinese healthy subjects. The drug concentration of plasma sample from the 9 volunteers was determined by GC method and ketamine was used as internal standard. The method has been validated over a liner range from 2.5 to 160 ng/ml for tilidine, and from 5 to 160 ng/ml for nortilidine. After validation, the method was used to study the pharmacokinetic profile of tilidine and its active metabolite nortilidine in 9 Chinese healthy volunteers following administration of a single oral dose 50mg tilidine hydrochloride oral solution, the main pharmacokinetics data (mean±SD) for tilidine and nortilidine were Cmax 63.39±28.99 and 122.53±23.23 ng/ml; Tmax 0.37±0.07 and 0.64±0.30 h; t1/2 2.83±135 and 5.72±1.37 h; AUC0-∞101.59±41.85 and 577.13±189.77 ng•h•ml-1, respectively. The method is simple, sensitive, accurate and can be used for pharmacokinetics studies of tilidine and its active metabolite nortilidine.
	TO cite this article:Li Sun,Jin Ouyang,LiYang Shen, et al. A Rapid and Reliable Method for Pharmacokinetics Study of tilidine and its metabolite[OL].[13 April 2009] http://en.paper.edu.cn/en_releasepaper/content/31344


	10. Screening an anti-angiogenesis component from Tupistra Cinensis Bak. using cell membrane chromatography combined with chicken chorioallantoic membrane assay
	Langchong He,Cuiqin Li,,Sicen Wang
	Pharmacy 13 January 2009
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	Abstract:We tried to find an anti-angiogenesis component from Tupistra Cinensis Bak., a natural medicinal herb in China, using the ECV304 cell membrane chromatography (CMC) combined with chicken chorioallantoic membrane (CAM) assay. Samples were obtained using ethanol extraction, a resin column and a normal-phase column separation from Tupistra Cinensis Bak. Samples were screened by an ECV304 CMC model with the anti-flt-1 antibody as the control molecule. An active component that acted on the ECV304 cell membrane receptor (e.g., VEGFR) was found. The structure of this component was determined by UV, IR, MS and NMR and named as (5?-oleandrigenin-3-(?L-rhamnopyranoside) or ODGR. The pharmacological effect of ODGR was tested by a chicken CAM neovascularization model in vivo. ODGR significantly inhibited CAM angiogenesis within 0.94?5 礸/egg. CAM histomorphological results indicated that ODGR could inhibit sprouting of blood vessels and proliferation of vascular endothelial cells. These findings suggest that ODGR is a promising inhibitor of angiogenesis. The method of ECV304 CMC combined with chicken CAM assay can be used for discovering compounds with anti-angiogenesis actions from natural medicinal herbs.
	TO cite this article:Langchong He,Cuiqin Li,,Sicen Wang. Screening an anti-angiogenesis component from Tupistra Cinensis Bak. using cell membrane chromatography combined with chicken chorioallantoic membrane assay[OL].[13 January 2009] http://en.paper.edu.cn/en_releasepaper/content/27719

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