Liangren Zhang

Liangren Zhang

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Discovery of fused heterocyclic carboxamide derivatives as novel α7-nAChR agonists: Synthesis, preliminary SAR and biological evaluation.

Eur J Med Chem 2019 Aug 12;182:111618. Epub 2019 Aug 12.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, PR China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2019.111618DOI Listing
August 2019

Identification and characterization of benzo[d]oxazol-2(3H)-one derivatives as the first potent and selective small-molecule inhibitors of chromodomain protein CDYL.

Eur J Med Chem 2019 Aug 31;182:111656. Epub 2019 Aug 31.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2019.111656DOI Listing
August 2019

Multistage Screening Reveals 3-Substituted Indolin-2-one Derivatives as Novel and Isoform-Selective c-Jun N-terminal Kinase 3 (JNK3) Inhibitors: Implications to Drug Discovery for Potential Treatment of Neurodegenerative Diseases.

J Med Chem 2019 Jul 15;62(14):6645-6664. Epub 2019 Jul 15.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences , Peking University , Beijing 100191 , China.

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http://dx.doi.org/10.1021/acs.jmedchem.9b00537DOI Listing
July 2019

Discovery of novel glycogen synthase kinase-3α inhibitors: Structure-based virtual screening, preliminary SAR and biological evaluation for treatment of acute myeloid leukemia.

Eur J Med Chem 2019 Jun 20;171:221-234. Epub 2019 Mar 20.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, PR China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2019.03.039DOI Listing
June 2019

Direct Gating of the TRPM2 Channel by cADPR via Specific Interactions with the ADPR Binding Pocket.

Cell Rep 2019 Jun;27(12):3684-3695.e4

Department of Biophysics, Institute of Neuroscience, NHC and CAMS Key Laboratory of Medical Neurobiology, Zhejiang University School of Medicine, Hangzhou 310058, P.R. China; Department of Neurosurgery, The First Affiliated Hospital, College of Medicine, Zhejiang University, Hangzhou, Zhejiang 310058, P.R. China. Electronic address:

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http://dx.doi.org/10.1016/j.celrep.2019.05.067DOI Listing
June 2019

Rational Design and Identification of Small-Molecule Allosteric Inhibitors of CD38.

Chembiochem 2019 May 12. Epub 2019 May 12.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, P. R. China.

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http://dx.doi.org/10.1002/cbic.201900169DOI Listing
May 2019

A Cell-Permeant Mimetic of NMN Activates SARM1 to Produce Cyclic ADP-Ribose and Induce Non-apoptotic Cell Death.

iScience 2019 May 4;15:452-466. Epub 2019 May 4.

State Key Laboratory of Chemical Oncogenomics, Key Laboratory of Chemical Genomics, School of Chemical Biology and Biotechnology, Peking University Shenzhen Graduate School, Shenzhen 518055, China. Electronic address:

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http://dx.doi.org/10.1016/j.isci.2019.05.001DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6531917PMC
May 2019

Unravel a neuroactive sHA sulfation pattern with neurogenesis activity by a library of defined oligosaccharides.

Eur J Med Chem 2019 Feb 4;163:583-596. Epub 2018 Dec 4.

State Key Laboratory of Natural and Biomimetic Drugs, Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, No. 38 Xueyuan Road, 100191, Haidian District, Beijing, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2018.12.004DOI Listing
February 2019

Synthesis and Biological Evaluation of Fused Tricyclic Heterocycle Piperazine (Piperidine) Derivatives As Potential Multireceptor Atypical Antipsychotics.

J Med Chem 2018 11 9;61(22):10017-10039. Epub 2018 Nov 9.

Systems Biology Theme, Department of Biomedical Engineering, College of Life Science and Technology , Huazhong University of Science and Technology , Wuhan 430074 , China.

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http://dx.doi.org/10.1021/acs.jmedchem.8b01096DOI Listing
November 2018

Design, synthesis and structure-activity relationship study of novel naphthoindolizine and indolizinoquinoline-5,12-dione derivatives as IDO1 inhibitors.

Bioorg Med Chem 2018 09 24;26(17):4886-4897. Epub 2018 Aug 24.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China. Electronic address:

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http://dx.doi.org/10.1016/j.bmc.2018.08.028DOI Listing
September 2018

Calcium-Mobilizing Behaviors of Neutral Cyclic ADP-Ribose Mimics that Integrate Modifications to the Nucleobase, Northern Ribose and Pyrophosphate.

Chembiochem 2018 07 22;19(13):1444-1451. Epub 2018 May 22.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China.

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http://dx.doi.org/10.1002/cbic.201800133DOI Listing
July 2018

Anticancer effects of combinational treatment with BRAF siRNA and PI3K pathway inhibitors in melanoma cell lines harboring BRAF.

Oncol Lett 2018 Jul 2;16(1):632-642. Epub 2018 May 2.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, P.R. China.

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http://dx.doi.org/10.3892/ol.2018.8614DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6006476PMC
July 2018

Multi-objective de novo drug design with conditional graph generative model.

J Cheminform 2018 Jul 24;10(1):33. Epub 2018 Jul 24.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xueyuan Road 38, Haidian District, Beijing, 100191, China.

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http://dx.doi.org/10.1186/s13321-018-0287-6DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6057868PMC
July 2018

Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis.

J Chem Inf Model 2018 05 8;58(5):1104-1120. Epub 2018 May 8.

Molecular Modeling and Drug Discovery Core Laboratory for District of Columbia Center for AIDS Research (DC CFAR), Department of Pharmaceutical Sciences, College of Pharmacy , Howard University , Washington , D.C. 20059 , United States.

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http://dx.doi.org/10.1021/acs.jcim.8b00004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6197807PMC
May 2018

Design, synthesis and biological activities of 2,3-dihydroquinazolin-4(1H)-one derivatives as TRPM2 inhibitors.

Eur J Med Chem 2018 May 25;152:235-252. Epub 2018 Apr 25.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, PR China.

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http://dx.doi.org/10.1016/j.ejmech.2018.04.045DOI Listing
May 2018

Scale-Up Synthesis and Identification of GLYX-13, a NMDAR Glycine-Site Partial Agonist for the Treatment of Major Depressive Disorder.

Molecules 2018 Apr 24;23(5). Epub 2018 Apr 24.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://www.mdpi.com/1420-3049/23/5/996
Publisher Site
http://dx.doi.org/10.3390/molecules23050996DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6102568PMC
April 2018

Analysis of LncRNA expression in cell differentiation.

RNA Biol 2018 03 6;15(3):413-422. Epub 2018 Mar 6.

a State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences; Department of Obstetrics and Gynecology , Peking University Third Hospital, Peking University , Beijing , China.

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http://dx.doi.org/10.1080/15476286.2018.1441665DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5927722PMC
March 2018

Discovery of N-(Naphtho[1,2-b]Furan-5-Yl) Benzenesulfonamides as Novel Selective Inhibitors of Triple-Negative Breast Cancer (TNBC).

Molecules 2018 Mar 16;23(3). Epub 2018 Mar 16.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.3390/molecules23030678DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017705PMC
March 2018

Selective inhibition of TRPM2 channel by two novel synthesized ADPR analogues.

Chem Biol Drug Des 2018 02 15;91(2):552-566. Epub 2017 Nov 15.

State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing, China.

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http://dx.doi.org/10.1111/cbdd.13119DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5813235PMC
February 2018

Discovery of new GSK-3β inhibitors through structure-based virtual screening.

Bioorg Med Chem Lett 2018 01 24;28(2):160-166. Epub 2017 Nov 24.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China. Electronic address:

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http://dx.doi.org/10.1016/j.bmcl.2017.11.036DOI Listing
January 2018

The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.

PLoS One 2017 14;12(2):e0171433. Epub 2017 Feb 14.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, P. R. China.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0171433PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5308821PMC
August 2017

A pair of new elemanolide sesquiterpene lactones from Elephantopus scaber L.

Magn Reson Chem 2017 07 29;55(7):677-681. Epub 2017 Mar 29.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China.

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http://dx.doi.org/10.1002/mrc.4567DOI Listing
July 2017

Identification of Novel Vacuolin-1 Analogues as Autophagy Inhibitors by Virtual Drug Screening and Chemical Synthesis.

Molecules 2017 May 27;22(6). Epub 2017 May 27.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.3390/molecules22060891DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6152680PMC
May 2017

Miconazole protects blood vessels from MMP9-dependent rupture and hemorrhage.

Dis Model Mech 2017 03 2;10(3):337-348. Epub 2017 Feb 2.

Beijing Key Laboratory of Cardiometabolic Molecular Medicine, Institute of Molecular Medicine, Peking University, Beijing 100871, China

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http://dmm.biologists.org/lookup/doi/10.1242/dmm.027268
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http://dx.doi.org/10.1242/dmm.027268DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5374319PMC
March 2017

Design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine derivatives as mTOR inhibitors.

Eur J Med Chem 2017 Mar 9;129:135-150. Epub 2017 Feb 9.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, PR China.

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http://dx.doi.org/10.1016/j.ejmech.2017.02.015DOI Listing
March 2017

Identification of the ADPR binding pocket in the NUDT9 homology domain of TRPM2.

J Gen Physiol 2017 Feb 20;149(2):219-235. Epub 2017 Jan 20.

Department of Neurobiology, Key Laboratory of Medical Neurobiology of the Ministry of Health of China, Zhejiang University School of Medicine, Hangzhou, Zhejiang 310058, China

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http://dx.doi.org/10.1085/jgp.201611675DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5299621PMC
February 2017

Synthesis and biological activities of indolizine derivatives as alpha-7 nAChR agonists.

Eur J Med Chem 2016 Jun 8;115:94-108. Epub 2016 Mar 8.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, PR China.

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http://dx.doi.org/10.1016/j.ejmech.2016.03.016DOI Listing
June 2016

Pregnane steroids from a gorgonian coral Subergorgia suberosa with anti-flu virus effects.

Steroids 2016 Apr 4;108:99-104. Epub 2016 Feb 4.

State Key Laboratory of Natural and Biomimetic Drugs, Institute of Ocean Research, Peking University, Beijing 100191, PR China. Electronic address:

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http://dx.doi.org/10.1016/j.steroids.2016.02.003DOI Listing
April 2016

Microenvironmental Effect of 2'-O-(1-Pyrenylmethyl)uridine Modified Fluorescent Oligonucleotide Probes on Sensitive and Selective Detection of Target RNA.

Anal Chem 2016 Apr 8;88(8):4448-55. Epub 2016 Apr 8.

State Key Laboratory of Natural and Biomimetic Drugs, the School of Pharmaceutical Sciences, Peking University , Beijing, 100191, China.

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http://dx.doi.org/10.1021/acs.analchem.6b00227DOI Listing
April 2016

Design, synthesis and biological evaluation of novel L-ascorbic acid-conjugated pentacyclic triterpene derivatives as potential influenza virus entry inhibitors.

Eur J Med Chem 2016 Mar 8;110:376-88. Epub 2016 Jan 8.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2016.01.005DOI Listing
March 2016

Sensitive Detection of Single-Nucleotide Mutation in the BRAF Mutation Site (V600E) of Human Melanoma Using Phosphate-Pyrene-Labeled DNA Probes.

Anal Chem 2016 Jan 10;88(1):883-9. Epub 2015 Dec 10.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University , Beijing 100191, People's Republic of China.

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http://dx.doi.org/10.1021/acs.analchem.5b03523DOI Listing
January 2016

Comparative Analysis of Pharmacophore Features and Quantitative Structure-Activity Relationships for CD38 Covalent and Non-covalent Inhibitors.

Chem Biol Drug Des 2015 Dec 14;86(6):1411-24. Epub 2015 Jul 14.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China.

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http://dx.doi.org/10.1111/cbdd.12606DOI Listing
December 2015

Integrating Pharmacophore into Membrane Molecular Dynamics Simulations to Improve Homology Modeling of G Protein-coupled Receptors with Ligand Selectivity: A2A Adenosine Receptor as an Example.

Chem Biol Drug Des 2015 Dec 14;86(6):1438-50. Epub 2015 Jul 14.

Drug Design Center, State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China.

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http://dx.doi.org/10.1111/cbdd.12607DOI Listing
December 2015

Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.

Chem Biol Drug Des 2015 Nov 14;86(5):1226-41. Epub 2015 Jul 14.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Rd, Beijing, 100191, China.

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http://dx.doi.org/10.1111/cbdd.12590DOI Listing
November 2015

Binding mode pediction of evodiamine within vanilloid receptor TRPV1.

Int J Mol Sci 2012 18;13(7):8958-69. Epub 2012 Jul 18.

State Key Laboratory of Trauma, Burns, and Combined Injury, Department 1, Research Institute of Surgery, Daping Hospital, The Third Military Medical University, Chongqing 400042, China; E-Mail:

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http://dx.doi.org/10.3390/ijms13078958DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3430276PMC
July 2015

EGCG reverses human neutrophil elastase-induced migration in A549 cells by directly binding to HNE and by regulating α1-AT.

Sci Rep 2015 Jul 16;5:11494. Epub 2015 Jul 16.

1] State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191, China [2] Department of Pharmacology, School of Basic Medical Science, Peking University and Institute of System Biomedicine, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.1038/srep11494DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4503950PMC
July 2015

Cyclic adenosine 5'-diphosphoribose (cADPR) mimics used as molecular probes in cell signaling.

Chem Rec 2015 Apr 24;15(2):511-23. Epub 2015 Feb 24.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, P. R. China.

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http://dx.doi.org/10.1002/tcr.201402072DOI Listing
April 2015

Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.

J Nat Prod 2015 Apr 4;78(4):630-8. Epub 2015 Mar 4.

†State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, People's Republic of China.

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http://pubs.acs.org/doi/10.1021/np500746n
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http://dx.doi.org/10.1021/np500746nDOI Listing
April 2015

Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families.

J Chem Inf Model 2015 Feb 9;55(2):374-88. Epub 2015 Feb 9.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University , 38 Xueyuan Road, Beijing 100191, China.

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http://pubs.acs.org/doi/10.1021/ci5005515
Publisher Site
http://dx.doi.org/10.1021/ci5005515DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4677826PMC
February 2015

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.

Methods 2015 Jan 3;71:146-57. Epub 2014 Dec 3.

Molecular Modeling and Drug Discovery Core for District of Columbia Developmental Center for AIDS Research (DC D-CFAR), Laboratory of Cheminformatics and Drug Design, Department of Pharmaceutical Sciences, College of Pharmacy, Howard University, Washington, DC 20059, USA. Electronic address:

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http://dx.doi.org/10.1016/j.ymeth.2014.11.015DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4278665PMC
January 2015

Stability and bioactivity of thrombin binding aptamers modified with D-/L-isothymidine in the loop regions.

Org Biomol Chem 2014 Nov;12(44):8866-76

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, PR China.

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http://dx.doi.org/10.1039/c4ob01525hDOI Listing
November 2014

Synthesis of site-specifically phosphate-caged siRNAs and evaluation of their RNAi activity and stability.

Chemistry 2014 Sep 1;20(38):12114-22. Epub 2014 Aug 1.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191 (China), Fax: (+86) 10-8280-5635; College of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049 (China).

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http://dx.doi.org/10.1002/chem.201403430DOI Listing
September 2014

Design, synthesis and SAR studies of NAD analogues as potent inhibitors towards CD38 NADase.

Molecules 2014 Sep 29;19(10):15754-67. Epub 2014 Sep 29.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://www.mdpi.com/1420-3049/19/10/15754
Publisher Site
http://dx.doi.org/10.3390/molecules191015754DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271716PMC
September 2014

Targeting efficiency of RGD-modified nanocarriers with different ligand intervals in response to integrin αvβ3 clustering.

Biomaterials 2014 Jul 1;35(23):6106-17. Epub 2014 May 1.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China. Electronic address:

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http://dx.doi.org/10.1016/j.biomaterials.2014.04.031DOI Listing
July 2014

Unfolding and conformational variations of thrombin-binding DNA aptamers: synthesis, circular dichroism and molecular dynamics simulations.

ChemMedChem 2014 May 8;9(5):993-1001. Epub 2014 Apr 8.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191 (P. R. China).

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http://dx.doi.org/10.1002/cmdc.201300564DOI Listing
May 2014

An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs.

J Chem Inf Model 2014 May 1;54(5):1433-50. Epub 2014 May 1.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University , Beijing 100191, China.

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http://dx.doi.org/10.1021/ci500062fDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4038372PMC
May 2014

Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: toward the discovery of novel Akt1 inhibitors.

Eur J Med Chem 2014 Mar 22;75:11-20. Epub 2014 Jan 22.

ZJU-ENS Joint Laboratory of Medicinal Chemistry, Zhejiang Province Key Laboratory of Anti-Cancer Drug Research, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2014.01.019DOI Listing
March 2014

Structure-based design, synthesis and biological evaluation of diphenylmethylamine derivatives as novel Akt1 inhibitors.

Eur J Med Chem 2014 Feb 19;73:167-76. Epub 2013 Dec 19.

ZJU-ENS Joint Laboratory of Medicinal Chemistry, Zhejiang Province Key Laboratory of Anti-Cancer Drug Research, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China. Electronic address:

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http://dx.doi.org/10.1016/j.ejmech.2013.11.036DOI Listing
February 2014

Investigation of the binding sites and orientation of caffeine on human serum albumin by surface-enhanced Raman scattering and molecular docking.

Spectrochim Acta A Mol Biomol Spectrosc 2013 Nov 25;115:57-63. Epub 2013 May 25.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center, Beijing 100191, PR China.

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http://dx.doi.org/10.1016/j.saa.2013.05.036DOI Listing
November 2013

Toll-like receptor 7 agonists: chemical feature based pharmacophore identification and molecular docking studies.

PLoS One 2013 20;8(3):e56514. Epub 2013 Mar 20.

Department of Laboratory Centre, the Affiliated Tenth People's Hospital, Tongji University, Shanghai, China.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0056514PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3603940PMC
September 2013

Computational identification of a new binding site in influenza virus hemagglutinin for membrane fusion inhibitors.

Chem Biol Drug Des 2013 Sep 29;82(3):267-74. Epub 2013 Jun 29.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100191, China.

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http://dx.doi.org/10.1111/cbdd.12156DOI Listing
September 2013

Indolizine derivatives as HIV-1 VIF-ElonginC interaction inhibitors.

Chem Biol Drug Des 2013 Jun;81(6):730-41

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.1111/cbdd.12119DOI Listing
June 2013

A cell permeable NPE caged ADP-ribose for studying TRPM2.

PLoS One 2012 7;7(12):e51028. Epub 2012 Dec 7.

Department of Physiology, University of Hong Kong, Hong Kong, China.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0051028PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3517590PMC
May 2013

Design, synthesis and biological evaluation of indolizine derivatives as HIV-1 VIF-ElonginC interaction inhibitors.

Mol Divers 2013 May 3;17(2):221-43. Epub 2013 Feb 3.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.1007/s11030-013-9424-3DOI Listing
May 2013

Fluorescent probe for highly selective and sensitive detection of hydrogen sulfide in living cells and cardiac tissues.

Analyst 2013 Feb;138(3):946-51

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, No. 38 Xueyuan Rd, Beijing 100191, China.

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http://dx.doi.org/10.1039/c2an36113bDOI Listing
February 2013

Novel dithiocarbamic acid esters derived from 6-aminomethyl-4-anilinoquinazolines and 6-aminomethyl-4-anilino-3-cyanoquinolines as potent EGFR inhibitors.

Arch Pharm (Weinheim) 2013 Jan 25;346(1):44-52. Epub 2012 Nov 25.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, P R China.

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http://dx.doi.org/10.1002/ardp.201200267DOI Listing
January 2013

Design, synthesis, and antibacterial activities of conformationally constrained kanamycin A derivatives.

J Org Chem 2013 Jan 18;78(2):400-9. Epub 2012 Dec 18.

Department of Chemical Biology, School of Pharmaceutical Sciences, The State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.1021/jo302247xDOI Listing
January 2013

A novel fluorescent cell membrane-permeable caged cyclic ADP-ribose analogue.

J Biol Chem 2012 Jul 1;287(29):24774-83. Epub 2012 Jun 1.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://www.jbc.org/lookup/doi/10.1074/jbc.M111.329854
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http://dx.doi.org/10.1074/jbc.M111.329854DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3397904PMC
July 2012

Copper-catalyzed aerobic oxidative cross-dehydrogenative coupling of amine and α-carbonyl aldehyde: a practical and efficient approach to α-ketoamides with wide substrate scope.

Org Lett 2012 Jul 13;14(13):3280-3. Epub 2012 Jun 13.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xue Yuan Rd. 38, Beijing 100191, China.

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http://dx.doi.org/10.1021/ol301130uDOI Listing
July 2012

Small-molecule inhibition of human immunodeficiency virus type 1 replication by targeting the interaction between Vif and ElonginC.

J Virol 2012 May 29;86(10):5497-507. Epub 2012 Feb 29.

National Engineering Laboratory for AIDS Vaccine, College of Life Science, Jilin University, Changchun, Jilin Province, People's Republic of China.

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http://dx.doi.org/10.1128/JVI.06957-11DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3347289PMC
May 2012

Mn-promoted aerobic oxidative C-C bond cleavage of aldehydes with dioxygen activation: a simple synthetic approach to formamides.

Org Lett 2012 May 26;14(9):2362-5. Epub 2012 Apr 26.

State Key Laboratory of Natural and Biomimetic Drugs and School of Pharmaceutical Sciences, Peking University, Xue Yuan Road 38, Beijing 100191, China.

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http://dx.doi.org/10.1021/ol300781sDOI Listing
May 2012

Synthesis of N-substituted ε-hexonolactams as pharmacological chaperones for the treatment of N370S mutant Gaucher disease.

Org Biomol Chem 2012 Apr 27;10(15):2923-7. Epub 2012 Jan 27.

State Key Laboratory of Natural and Biomimetic Drugs, Peking University, and School of Pharmaceutical Sciences, Peking University, Xue Yuan Road No. 38, Beijing 100191, China.

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http://dx.doi.org/10.1039/c2ob06987cDOI Listing
April 2012

Synthesis and calcium mobilization activity of cADPR analogues which integrate nucleobase, northern and southern ribose modifications.

Molecules 2012 Apr 10;17(4):4343-56. Epub 2012 Apr 10.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.3390/molecules17044343DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6268930PMC
April 2012

Design, synthesis and biological evaluation of noncovalent inhibitors of human CD38 NADase.

ChemMedChem 2012 Feb 3;7(2):223-8. Epub 2012 Jan 3.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Haidian District, Beijing 100191, China.

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http://doi.wiley.com/10.1002/cmdc.201100487
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February 2012

Catalysis-based inhibitors of the calcium signaling function of CD38.

Biochemistry 2012 Jan 14;51(1):555-64. Epub 2011 Dec 14.

Department of Physiology, 4/F Lab Block, University of Hong Kong, Hong Kong.

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http://pubs.acs.org/doi/10.1021/bi201509f
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January 2012

Synthesis of salinosporamide A and its analogs as 20S proteasome inhibitors and SAR summarization.

Curr Top Med Chem 2011 Dec;11(23):2906-22

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, China.

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http://dx.doi.org/10.2174/156802611798281302DOI Listing
December 2011

Copper-catalyzed aerobic oxidative coupling of aryl acetaldehydes with anilines leading to α-ketoamides.

Angew Chem Int Ed Engl 2011 Nov 14;50(47):11088-92. Epub 2011 Sep 14.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xue Yuan Rd. 38, Beijing 100191, China.

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http://dx.doi.org/10.1002/anie.201105285DOI Listing
November 2011

Computer-aided drug design for AMP-activated protein kinase activators.

Curr Comput Aided Drug Des 2011 Sep;7(3):214-27

Central Experimental Laboratory, The First Affiliated Hospital, Baotou Medical College, China.

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September 2011

Synthesis and SAR study of novel peptide aldehydes as inhibitors of 20S proteasome.

Molecules 2011 Sep 5;16(9):7551-64. Epub 2011 Sep 5.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.3390/molecules16097551DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6264673PMC
September 2011

Angiotensin-I-converting enzyme inhibitory peptides: Chemical feature based pharmacophore generation.

Eur J Med Chem 2011 Aug 12;46(8):3428-33. Epub 2011 May 12.

Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310029, China.

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http://dx.doi.org/10.1016/j.ejmech.2011.05.007DOI Listing
August 2011

Utilization of natural sunlight and air in the aerobic oxidation of benzyl halides.

Org Lett 2011 May 29;13(9):2168-71. Epub 2011 Mar 29.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xue Yuan Road 38, Beijing 100191, China.

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http://dx.doi.org/10.1021/ol2002013DOI Listing
May 2011

Identification of small-molecule inhibitors against human leukocyte antigen-death receptor 4 (HLA-DR4) through a comprehensive strategy.

J Chem Inf Model 2011 Feb 2;51(2):326-34. Epub 2011 Feb 2.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, People's Republic of China.

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http://dx.doi.org/10.1021/ci100444cDOI Listing
February 2011

Novel X-linked inhibitor of apoptosis protein inhibitors as probes of apoptosis in biology and medicine.

Exp Biol Med (Maywood) 2011 Feb;236(2):247-51

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.1258/ebm.2010.010284DOI Listing
February 2011

Dynamic conformations of the CD38-mediated NAD cyclization captured in a single crystal.

J Mol Biol 2011 Jan 8;405(4):1070-8. Epub 2010 Dec 8.

Department of Physiology, The University of Hong Kong, Hong Kong SAR, China.

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http://dx.doi.org/10.1016/j.jmb.2010.11.044DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3019291PMC
January 2011

Concise syntheses of trifluoromethylated cyclic and acyclic analogues of cADPR.

Molecules 2010 Nov 30;15(12):8689-701. Epub 2010 Nov 30.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.3390/molecules15128689DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6259357PMC
November 2010

An efficient transformation from benzyl or allyl halides to aryl and alkenyl nitriles.

Org Lett 2010 Jun;12(12):2888-91

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xue Yuan Road 38, Beijing 100191, China.

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http://dx.doi.org/10.1021/ol101094uDOI Listing
June 2010

Synthesis and biological evaluation of novel 2-arylalkylthio-4-amino-6-benzyl pyrimidines as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem Lett 2010 May 18;20(9):3003-5. Epub 2009 Apr 18.

College of Pharmaceutical Sciences, Capital Medical University, Beijing 100069, PR China.

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http://dx.doi.org/10.1016/j.bmcl.2009.04.051DOI Listing
May 2010

Novel nucleobase-simplified cyclic ADP-ribose analogue: A concise synthesis and Ca(2+)-mobilizing activity in T-lymphocytes.

Org Biomol Chem 2010 Apr;8(8):1843-8

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100083, PR China.

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http://dx.doi.org/10.1039/b925295aDOI Listing
April 2010

Synthesis, in vitro and in vivo biological evaluation, docking studies, and structure--activity relationship (SAR) discussion of dipeptidyl boronic acid proteasome inhibitors composed of beta-amino acids.

J Med Chem 2010 Mar;53(5):1990-9

Jiangsu Simcere Pharmaceutical Research Institute and Jiangsu Key Laboratory of Molecular Targeted Antitumor Drug Research, No 699-18 Xuan Wu Avenue, Xuan Wu District, Nanjing 210042, PRC.

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http://dx.doi.org/10.1021/jm901407sDOI Listing
March 2010

Direct transformation of methyl arenes to aryl nitriles at room temperature.

Angew Chem Int Ed Engl 2009 ;48(38):7094-7

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xue Yuan Road 38, Beijing 100191, China.

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http://dx.doi.org/10.1002/anie.200903838DOI Listing
December 2009

Multiple-docking and affinity fingerprint methods for protein classification and inhibitors selection.

J Chem Inf Model 2009 Jul;49(7):1725-33

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.1021/ci900044jDOI Listing
July 2009

Synthesis and evaluation of novel neamine derivatives effectively targeting to RNA.

Bioorg Med Chem Lett 2009 Apr 13;19(8):2103-6. Epub 2009 Mar 13.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, PR China.

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http://dx.doi.org/10.1016/j.bmcl.2009.03.021DOI Listing
April 2009

Novel 8-deaza-5,6,7,8-tetrahydroaminopterin derivatives as dihydrofolate inhibitor: design, synthesis and antifolate activity.

Eur J Med Chem 2009 Feb 4;44(2):764-71. Epub 2008 May 4.

Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100083, China.

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http://dx.doi.org/10.1016/j.ejmech.2008.04.017DOI Listing
February 2009

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site.

Eur J Med Chem 2008 Aug 22;43(8):1648-56. Epub 2007 Oct 22.

ITODYS, Université Paris Diderot, CNRS UMR 7086, 1 rue Guy de la Brosse, 75005 Paris, France.

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http://linkinghub.elsevier.com/retrieve/pii/S022352340700397
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http://dx.doi.org/10.1016/j.ejmech.2007.10.022DOI Listing
August 2008

Ligand-free Pd-catalyzed highly selective arylation of allylic esters with retention of the traditional leaving group.

Angew Chem Int Ed Engl 2008 ;47(25):4729-32

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Xue Yuan Road 38, Beijing 100083, China.

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http://doi.wiley.com/10.1002/anie.200800966
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August 2008

Copper ions inhibit S-adenosylhomocysteine hydrolase by causing dissociation of NAD+ cofactor.

Biochemistry 2007 Oct 25;46(41):11451-8. Epub 2007 Sep 25.

Department of Chemical Biology and State Key Laboratories of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center, Beijing 100083, People's Republic of China.

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http://dx.doi.org/10.1021/bi700395dDOI Listing
October 2007

Computational modeling and functional analysis of Herpes simplex virus type-1 thymidine kinase and Escherichia coli cytosine deaminase fusion protein.

Biochem Biophys Res Commun 2007 Aug 12;360(1):46-50. Epub 2007 Jun 12.

Central Experimental Laboratory, the First People's Hospital, Shanghai Jiaotong University, Shanghai 200080, China.

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http://dx.doi.org/10.1016/j.bbrc.2007.05.220DOI Listing
August 2007

Pharmacophore modeling and in silico screening for new KDR kinase inhibitors.

Bioorg Med Chem Lett 2007 Apr 2;17(8):2126-33. Epub 2007 Feb 2.

Central Experimental Laboratory, The First People's Hospital, Shanghai Jiaotong University, Shanghai 200080, China.

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http://dx.doi.org/10.1016/j.bmcl.2007.01.089DOI Listing
April 2007

Synthesis and recognition of novel isonucleoside triphosphates by DNA polymerases.

Bioorg Med Chem 2007 Apr 9;15(8):3019-25. Epub 2007 Feb 9.

State Key Laboratory of Natural and Biomimetic Drug, School of Pharmaceutical Sciences, Peking University, Beijing 100083, PR China.

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http://dx.doi.org/10.1016/j.bmc.2007.02.003DOI Listing
April 2007

The discovery of novel vascular endothelial growth factor receptor tyrosine kinases inhibitors: pharmacophore modeling, virtual screening and docking studies.

Chem Biol Drug Des 2007 Mar;69(3):204-11

Central Experimental Laboratory, The First People's Hospital, Shanghai Jiaotong University, Shanghai, China 200080.

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http://dx.doi.org/10.1111/j.1747-0285.2007.00488.xDOI Listing
March 2007

Three-dimensional structure of HIV-1 VIF constructed by comparative modeling and the function characterization analyzed by molecular dynamics simulation.

Org Biomol Chem 2007 Feb 18;5(4):617-26. Epub 2007 Jan 18.

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100083, China.

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http://dx.doi.org/10.1039/b612050dDOI Listing
February 2007

Structural insights into the effect of isonucleosides on B-DNA duplexes using molecular-dynamics simulations.

J Mol Model 2006 Sep 1;12(6):781-91. Epub 2006 Feb 1.

National Research Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing, 100083, People's Republic of China.

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http://dx.doi.org/10.1007/s00894-005-0085-8DOI Listing
September 2006

Synthesis and agonist activity of cyclic ADP-ribose analogues with substitution of the northern ribose by ether or alkane chains.

J Med Chem 2006 Sep;49(18):5501-12

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100083, China.

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http://dx.doi.org/10.1021/jm060320eDOI Listing
September 2006

Properties of isonucleotide-incorporated oligodeoxynucleotides and inhibition of the expression of spike protein of SARS-CoV.

Bioconjug Chem 2005 Sep-Oct;16(5):1081-7

National Research Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100083, China.

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http://dx.doi.org/10.1021/bc049769hDOI Listing
December 2005

A minimal structural analogue of cyclic ADP-ribose: synthesis and calcium release activity in mammalian cells.

J Biol Chem 2005 Apr 15;280(16):15952-9. Epub 2005 Feb 15.

Institute of Biochemistry, Cellular Signal Transduction and Pharmacology, University Hospital Hamburg Eppendorf, Center of Experimental Medicine, Martinistrasse 52, 20246 Hamburg, Germany.

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http://www.jbc.org/lookup/doi/10.1074/jbc.M414032200
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April 2005

Analysis of the interactions of ribonuclease inhibitor with kanamycin.

J Mol Model 2005 Feb 12;11(1):80-6. Epub 2005 Jan 12.

State Key Laboratory of Natural and Biomimetic Drugs, Health Science Center of Peking University, 100083 Beijing, People's Rebublic of China.

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http://dx.doi.org/10.1007/s00894-004-0229-2DOI Listing
February 2005