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	1. 3D-QSAR Analysis of SecA Inhibitors
	LI Minyong,ZHU mengyuan
	Pharmacy 25 January 2013
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	Abstract:SecA ATPase plays a crucial role in translocation of membrane and secreted polypeptides and proteins in bacteria and therefore a perfect target for novel antimicrobial drug design. Herein, we generated QSAR models with an alignment-independent method. The optimum model obtained for the training set was statistically significant with cross-validation regression coefficient (q2) value of 0.40 and correlation coefficient (r2) value of 0.89. These results suggest that this 3D-QSAR model can be used to guide the development of new SecA inhibitors.
	TO cite this article:LI Minyong,ZHU mengyuan. 3D-QSAR Analysis of SecA Inhibitors[OL].[25 January 2013] http://en.paper.edu.cn/en_releasepaper/content/4516260


	2. Determination of 5-Hydroxyindole-3-acetic acid, dihydroxyphenylacetic acid and homovanillic acid in the brains of freely moving rats using microdialysis coupled with HPLC-ECD
	LIU Rui,DUAN Jin-ao,GUO Jianming,TANG Yuping,QIAN Dawei
	Pharmacy 12 January 2013
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	Abstract:In present paper, microdialysis (MD) combined with high performance liquid chromatography with electrochemical detection (HPLC-ECD) was applied for the determination of 5-hydroxyindole-3-acetic acid (5-HIAA), dihydroxyphenylacetic acid (DOPAC) and homovanillic acid (HVA) in the hypothalamus of LPS-induced hyperthermia rats. The extracellular neurotransmitters of 5-HIAA, DOPAC and HVA could be detected increasing significantly in rat brain 150 min after LPS injection. The result showed that dynamic change of neurotransmitters in rat brain could be determined easily by MD coupled with HPLC-ECD. Furthermore, the advantage that fewer animals sacrifice occurred in the microdialysis experiment was confirmed.
	TO cite this article:LIU Rui,DUAN Jin-ao,GUO Jianming, et al. Determination of 5-Hydroxyindole-3-acetic acid, dihydroxyphenylacetic acid and homovanillic acid in the brains of freely moving rats using microdialysis coupled with HPLC-ECD[OL].[12 January 2013] http://en.paper.edu.cn/en_releasepaper/content/4511624

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	3. Cell uptake of paclitaxel solid lipid nanoparticles modified by cell-penetrating peptides in A549 cells
	ZHANG Yinlong,LV Huixia,ZHOU Jianping,ZHANG Zhenhai
	Pharmacy 08 January 2013
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	Abstract:The aim of this study was to investigate the cytotoxicity of paclitaxel solid lipid nanoparticles(SLN) modified with stearic acid octaarginine (SA-R8-C6-SLN ) as well as the cellular uptake of Coumarin-6-loaded SLN modified with SA-R8 (SA-R8-C6-SLN) in human lung cancer cells, A549. SLN were prepared using a film dispersion method; and then their particle size, zeta potential, morphology, bound efficiency of SA-R8, drug loading efficiency, and in vitro release were characterized. SA-R8-PTX-SLN and SA-R8-C6-SLN were incubated with A549 cells to measure their cytotoxicity and cellular uptake, respectively. The results indicated that the cytotoxicity of SA-R8-PTX-SLN was enhanced significantly with the increasing amount of SA-R8 and the cellular uptakes of SLN increased with the incubated concentrations and the incubated time of SLN. In contrast, SA-R8-SLN could significantly enhance the cellular uptake of SLN and the cytotoxicity of PTX in A549 cells. These in vitro results suggest that SA-R8-SLN could be proposed as alternative drug delivery system
	TO cite this article:ZHANG Yinlong,LV Huixia,ZHOU Jianping, et al. Cell uptake of paclitaxel solid lipid nanoparticles modified by cell-penetrating peptides in A549 cells[OL].[ 8 January 2013] http://en.paper.edu.cn/en_releasepaper/content/4511164


	4. Subcellular Quantification of Doxorubicin and its Metabolite in Cultured Human Leukemia Cells using Liquid Chromatography-Tandem Mass Spectrometry
	Xu Jinhui,Chen Yun
	Pharmacy 03 December 2012
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	Abstract:Doxorubicin (DOX) is widely used in the world as an anti-cancer agent for the treatment of leukemia and solid tumors. However, its clinic use is largely limited by the emergence of cardiotoxicity. One of the most frequently proposed mechanisms for DOX induced cardiotoxicity is the formation of metabolites. However, the enzymatic pathways involved in DOX intracellular metabolism have not been fully elucidated thus far. To provide a more detailed description of DOX metabolism, an assay using liquid chromatography-tandem mass spectrometry (LC/MS/MS) was developed in our lab to simultaneously determine DOX and its primary metabolite doxorubicinol (DOXol) in subcellular compartments. Good accuracy and precision were achieved. Using this assay, the accumulation of DOX and DOXol in whole cells, nuclear enriched fraction (NEF) and organelle-enriched fraction (OEF) were compared between two human T leukemia cell lines (i.e., Jurkat and CCRF-CEM). A time-course analysis was also carried out. The resulting varieties of DOX and DOXol subcellular distributions and concentration-time profiles might be attributed to the differential expression, activities and localization of reductive enzymes within these cell lines. More importantly, this work demonstrated that simultaneous determination of drug and its metabolite in subcellular compartments could be achieved using LC/MS/MS.
	TO cite this article:Xu Jinhui,Chen Yun. Subcellular Quantification of Doxorubicin and its Metabolite in Cultured Human Leukemia Cells using Liquid Chromatography-Tandem Mass Spectrometry[OL].[ 3 December 2012] http://en.paper.edu.cn/en_releasepaper/content/4500290


	5. Overcoming drug-resistance with copolymer micelles in delivering anti-cancer drug to breast tumor cells.
	Min Han
	Pharmacy 20 September 2012
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	Abstract:Drug resistance is one of the critical reasons leading to failure in chemotherapy. We developed PEG-PCL polymer micelle encapsulating Doxorubicin (DOX) as a novel drug delivery system to inhibit the drug-resistance of adriamycin-resistant K562 tumor cells(K562/ADR) in present study, and the physico-chemical properties of the micelles, accumulation and cytotoxicity of DOX in K562/ADR cells were further studied. The micelles loading DOX were prepared by solvent evaporation method with a diameter of 36 nm and a Zeta potential of 13.8 mV. The entrapment efficiency of DOX was (48.6±2.3)%. The micelles showed sustained release, and increased uptake and cellular cytotoxicity as well as decreased efflux of DOX in K562/ADR cells. This study suggested that PEG-PCL micelles possess a potential prospect in reversing the multidrug resistance of the tumor cells.
	TO cite this article:Min Han. Overcoming drug-resistance with copolymer micelles in delivering anti-cancer drug to breast tumor cells.[OL].[20 September 2012] http://en.paper.edu.cn/en_releasepaper/content/4489616


	6. Synthesis and Biological Evaluation of Caffeic Acid Amides as Selective Matrix Metalloproteinase Inhibitors
	LI Nianguang,SHI Zhihao,SHI Qianping,TANG Hao,TANG Yuping
	Pharmacy 10 September 2012
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	Abstract:A series of caffeic acid amides were synthesized, and through measurement using a fluorogenic substrate assay with human recombinant MMP-1, MMP-2 and MMP-9, compound 3f showed considerable inhibitory activities against MMP-2, MMP-9 and best selectivity over MMP-1. Prelimianay structure-activity relationship analysis indicated that caffeic acid amides with electron-donating groups at p-position of amino phenyl group showed better inhibitory activities and selectivity than those with electron-withdrawing groups. The findings of this study would provide information for the exploitation and utilization of caffeic acid as MMP inhibitor for metastatic tumour treatment.
	TO cite this article:LI Nianguang,SHI Zhihao,SHI Qianping, et al. Synthesis and Biological Evaluation of Caffeic Acid Amides as Selective Matrix Metalloproteinase Inhibitors[J].


	7. Synthesis and anti-tumor activity evaluation of ent-6,7-seco-oridonin derivatives
	LI Dahong,WANG Lei,CAI Hao,WU Xiaoming,SUN Yijun,XU Jinyi
	Pharmacy 16 July 2012
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	Abstract:This paper presents the synthesis of ent-6,7-seco-oridonin derivatives from commercial available natural product oridonin (1) and their biological activities were evaluated. The results demonstrated that the most effective compound 11 has improved =anti-proliferative activity than oridonin and similar potency compared with Taxol in A549 cell and Bel-7402 cell with IC50 of 4.58 and 5.03 μM, respectively. Compound 11 was also more potent than parent compound oridonin in mice with MGC-803 gastric cancer in vivo. These results would provide valuable information in the novel anticancer drugs development.
	TO cite this article:LI Dahong,WANG Lei,CAI Hao, et al. Synthesis and anti-tumor activity evaluation of ent-6,7-seco-oridonin derivatives[OL].[16 July 2012] http://en.paper.edu.cn/en_releasepaper/content/4483740


	8. Synthesis and Biological Evaluation of Substituted Cinnamic Acid Esters as Selective MMP-2 and MMP-9 Inhibitors
	LI Nianguang,SHI Zhihao,TANG Hao,SHI Qianping,TANG Yuping
	Pharmacy 14 July 2012
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	Abstract:Substituted cinnamic acid esters with extended P1' group were synthesized under microwave irradiation and tested for their inhibitory activities on MMP-1, MMP-2 and MMP-9. Preliminary SARs analysis showed that hydroxyl groups in the benzene ring and the presence of extended spatial structures in the carboxylic acid played key roles in the MMP-2 and MMP-9 inhibitory activity and selectivity over MMP-1.
	TO cite this article:LI Nianguang,SHI Zhihao,TANG Hao, et al. Synthesis and Biological Evaluation of Substituted Cinnamic Acid Esters as Selective MMP-2 and MMP-9 Inhibitors[J].


	9. Design and synthesis of furozan-based nitric oxide-releasing derivatives of oridonin with anti-proliferative activity
	LI Dahong,WANG Lei,CAI Hao,WU Xiaoming,SUN Yijun,XU Jinyi
	Pharmacy 03 July 2012
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	Abstract:To search for novel nitric oxide (NO) releasing anti-tumor agents, a series of novel furoxan/oridonin hybrids were designed and synthesized. Firstly, the nitrate/nitrite levels in the cell lysates were tested by Griess assay and the results showed that these furoxan-based NO-releasing derivatives could produce high level of NO in vitro. Then the anti-proliferative activity of these hybrids against four human cancer cell lines were also determined, among which, 9h exhibited the most potential anti-tumor activity with IC50 values of 1.82 μM against K562, 1.81μM against MGC-803 and 0.86 μM against Bel-7402, respecively. Structure-activity relationship was concluded based on the experimental data obtained. These results suggested that NO-donor/natural product hybrids may provide a promising approach for the discovery of novel anti-tumor agents.
	TO cite this article:LI Dahong,WANG Lei,CAI Hao, et al. Design and synthesis of furozan-based nitric oxide-releasing derivatives of oridonin with anti-proliferative activity[J].


	10. Molecular Docking Identifies the Binding Sites of the Ligands Specifically to TCPTP
	Sun Suxia,Liang Jing,Wang Runling,Wang Shuqing,Cheng Xianchao,Dong Weili
	Pharmacy 17 April 2012
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	Abstract:We have studied on T-cell protein-tyrosine phosphatase (TCPTP) as a model phosphatase in an attempt to seek the most favorable binding sites of TCPTP interacting with ligands and find out differences in substrate recognition by protein tyrosine phosphatase 1B (PTP1B) and TCPTP. The xalylarylaminobenzoic acids derivatives and 1,2,3,4-Tetrahydroisoquino- linyl (TIQ) sulfamic acid derivative were selected in this study. To better understand the structural and chemical features responsible for the recognition mechanism, the Autodock 4.0 was performed as automated molecular docking program to explore the binding pocket sites of this enzyme. Two key sites (Ⅰand Ⅲ) were found of the TCPTP contributing towards the binding of these compounds. SiteⅠ residues involved in forming two important hydrogen bonds from the enzyme were: Gln260 and Arg222. We also found that site Ⅲ consists of two main residues: Tyr22 and Pro262, which involved in hydrophobic interactions with the ligands. And the results of molecular docking showed that residue Asp48 played an important role in substrate binding. The interaction model of TCPTP inhibitors was similar and the difference in biologic activities of these inhibitors can be well explained. This study will help in the rational design of potent and selective PTP1B inhibitors over TCPTP.
	TO cite this article:Sun Suxia,Liang Jing,Wang Runling, et al. Molecular Docking Identifies the Binding Sites of the Ligands Specifically to TCPTP[OL].[17 April 2012] http://en.paper.edu.cn/en_releasepaper/content/4475056

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