Bruno O Villoutreix

Bruno O Villoutreix

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Bruno O Villoutreix

Bruno O Villoutreix

Publications by authors named "Bruno O Villoutreix"

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Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1).

Sci Rep 2019 Oct 21;9(1):15061. Epub 2019 Oct 21.

Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090, Wien, Austria.

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http://dx.doi.org/10.1038/s41598-019-51455-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6803698PMC
October 2019

A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments.

Int J Mol Sci 2019 Sep 19;20(18). Epub 2019 Sep 19.

Inserm U1268 MCTR, CNRS UMR 8038 CiTCoM - Univ. de Paris, Faculté de Pharmacie de Paris, 4 av de l'Observatoire, CEDEX 06, 75270 Paris, France.

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http://dx.doi.org/10.3390/ijms20184648DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6769597PMC
September 2019

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors.

Drug Discov Today 2019 02 22;24(2):551-559. Epub 2018 Nov 22.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, INSERM UMR-S 973, Paris, France; INSERM, U973, Paris, France. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S13596446183037
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http://dx.doi.org/10.1016/j.drudis.2018.11.013DOI Listing
February 2019

Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30.

PLoS One 2018 10;13(5):e0197249. Epub 2018 May 10.

Université Paris Diderot, Sorbonne Paris Cité, Inserm UMR-S 973, Molécules Thérapeutiques In silico, Paris, France.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0197249PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5944999PMC
November 2018

Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets.

Oncotarget 2018 Aug 17;9(64):32346-32361. Epub 2018 Aug 17.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, INSERM UMR-S 973, Paris, France.

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http://dx.doi.org/10.18632/oncotarget.25966DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6122352PMC
August 2018

Breast Cancer Targeting through Inhibition of the Endoplasmic Reticulum-Based Apoptosis Regulator Nrh/BCL2L10.

Cancer Res 2018 03 12;78(6):1404-1417. Epub 2018 Jan 12.

Univ Lyon, Université Claude Bernard Lyon 1, INSERM 1052, CNRS 5286, Centre Léon Bérard, Centre de recherche en cancérologie de Lyon, Lyon, France.

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http://dx.doi.org/10.1158/0008-5472.CAN-17-0846DOI Listing
March 2018

Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties.

Mol Inform 2017 10 21;36(10). Epub 2017 Feb 21.

Université Paris Diderot, Sorbonne Paris Cité, Molécules ThérapeutiquesIn Silico, Inserm UMR-S 973, 35 rue Helene Brion, 75013, Paris, France.

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http://dx.doi.org/10.1002/minf.201700008DOI Listing
October 2017

Pan-assay interference compounds (PAINS) that may not be too painful for chemical biology projects.

Drug Discov Today 2017 08 1;22(8):1131-1133. Epub 2017 Jul 1.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Inserm UMR-S 973, 35 rue Helene Brion, 75013 Paris, France; INSERM, U973, F-75205 Paris, France. Electronic address:

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http://dx.doi.org/10.1016/j.drudis.2017.05.017DOI Listing
August 2017

Gly74Ser mutation in protein C causes thrombosis due to a defect in protein S-dependent anticoagulant function.

Thromb Haemost 2017 06 13;117(7):1358-1369. Epub 2017 Apr 13.

Alireza R. Rezaie, PhD, Cardiovascular Biology Research Program, Oklahoma Medical Research Foundation, Oklahoma City, OK 73104, USA, Tel: +1 405 271 4711, E-mail: or, Qiulan Ding, PhD, Department of Laboratory Medicine, Ruijin Hospital, Shanghai Jiaotong University School of Medicine, No. 197 Ruijin Second Road, Shanghai, 200025 China, Tel.: +86 21 54667770, Fax: +86 21 64333548, E-mail:

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http://dx.doi.org/10.1160/TH17-01-0043DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5493976PMC
June 2017

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors.

Sci Rep 2017 04 11;7:46277. Epub 2017 Apr 11.

INSERM, U973, Université Paris Diderot, Sorbonne Paris Cité, Paris, France.

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http://dx.doi.org/10.1038/srep46277DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5387685PMC
April 2017

Pharmacogenomics of the cytochrome P450 2C family: impacts of amino acid variations on drug metabolism.

Drug Discov Today 2017 02 28;22(2):366-376. Epub 2016 Sep 28.

Université Paris Diderot, Sorbonne Paris Cité, Inserm UMR-S 973, Molécules Thérapeutiques In silico, 39 rue Helene Brion, 75013 Paris, France; INSERM, U973, Paris, France. Electronic address:

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http://dx.doi.org/10.1016/j.drudis.2016.09.015DOI Listing
February 2017

A Cell-Penetrating Peptide Targeting AAC-11 Specifically Induces Cancer Cells Death.

Cancer Res 2016 09 12;76(18):5479-90. Epub 2016 Jul 12.

INSERM UMRS1160, Institut Universitaire d'Hématologie, Hôpital Saint-Louis, Paris, France. Université Paris Diderot, Sorbonne Paris Cité, Paris, France. c-Dithem, Inserm Consortium for Discovery and Innovation in Therapy and Medicine.

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http://dx.doi.org/10.1158/0008-5472.CAN-16-0302DOI Listing
September 2016

Discoidin Domains as Emerging Therapeutic Targets.

Trends Pharmacol Sci 2016 08 29;37(8):641-659. Epub 2016 Jun 29.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Paris, France; Institut National de la Santé et de la Recherche Médicale (INSERM) Unité 973, Molécules Thérapeutiques In Silico, Paris, France.

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http://dx.doi.org/10.1016/j.tips.2016.06.003DOI Listing
August 2016

iPPI-DB: an online database of modulators of protein-protein interactions.

Nucleic Acids Res 2016 Jan 1;44(D1):D542-7. Epub 2015 Oct 1.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques, In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France

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http://dx.doi.org/10.1093/nar/gkv982DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702945PMC
January 2016

Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.

Bioinformatics 2015 Dec 26;31(24):3930-7. Epub 2015 Aug 26.

Université Paris Diderot, Sorbonne Paris Cité, UMR-S 973 Inserm, Paris 75013, France, Inserm UMR-S 973, Molécules Thérapeutiques In Silico, Université Paris Diderot, Sorbonne Paris Cité, Paris 75013, France.

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http://dx.doi.org/10.1093/bioinformatics/btv486DOI Listing
December 2015

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances.

Prog Biophys Mol Biol 2015 Oct 5;119(1):20-32. Epub 2015 Mar 5.

Université Paris Diderot, Sorbonne Paris Cité, UMRS 973 Inserm, Paris 75013, France; Inserm, U973, Paris 75013, France; CDithem, Faculté de Pharmacie, 1 rue du Prof Laguesse, 59000 Lille, France. Electronic address:

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http://dx.doi.org/10.1016/j.pbiomolbio.2015.02.006DOI Listing
October 2015

MTiOpenScreen: a web server for structure-based virtual screening.

Nucleic Acids Res 2015 Jul 8;43(W1):W448-54. Epub 2015 Apr 8.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, INSERM UMR-S 973, Paris, France INSERM, U973, Paris, France

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http://dx.doi.org/10.1093/nar/gkv306DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489289PMC
July 2015

FAF-Drugs3: a web server for compound property calculation and chemical library design.

Nucleic Acids Res 2015 Jul 16;43(W1):W200-7. Epub 2015 Apr 16.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, Paris 75013, France Inserm U973, Molécules Thérapeutiques In Silico, Paris 75013, France

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http://dx.doi.org/10.1093/nar/gkv353DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489254PMC
July 2015

Therapeutic Targeting of Nuclear γ-Tubulin in RB1-Negative Tumors.

Mol Cancer Res 2015 Jul 1;13(7):1073-82. Epub 2015 May 1.

Molecular Pathology, Department of Translational Medicine, Lund University, Skåne University Hospital, Malmö, Sweden.

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http://dx.doi.org/10.1158/1541-7786.MCR-15-0063-TDOI Listing
July 2015

Computational investigations of hERG channel blockers: New insights and current predictive models.

Adv Drug Deliv Rev 2015 Jun 12;86:72-82. Epub 2015 Mar 12.

Molecules Therapeutiques in silico (MTi), Sorbonne Paris Cité, Universite Paris-Diderot, UMR-S 973, 75205 Paris Cedex 13, France; Molecules Therapeutiques in silico (MTi), Sorbonne Paris Cité, INSERM, UMR-S 973, 75205 Paris Cedex 13, France. Electronic address:

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http://chidept.cn.cnrs.fr/SFCI/wordpress/wp-content/papercit
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http://dx.doi.org/10.1016/j.addr.2015.03.003DOI Listing
June 2015

Amino acid residues in the laminin G domains of protein S involved in tissue factor pathway inhibitor interaction.

Thromb Haemost 2015 May 26;113(5):976-87. Epub 2015 Feb 26.

Björn Dahlbäck MD, PhD, Professor of Blood Coagulation Research, Lund University, Department of Translational Medicine, Division of Clinical Chemistry, Wallenberg laboratory, floor 6, University Hospital, Malmö, S-20502 Malmö, Sweden, E-mail:

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http://dx.doi.org/10.1160/TH14-09-0803DOI Listing
May 2015

[Chemical libraries dedicated to protein-protein interactions].

Med Sci (Paris) 2015 Mar 8;31(3):312-9. Epub 2015 Apr 8.

Centre de recherche en cancérologie de Marseille (CRCM), CNRS UMR7258 ; Inserm U1068 ; institut Paoli-Calmettes ; université d'Aix-Marseille UM105, 27, boulevard Lei Roure,13009, Marseille, France.

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http://dx.doi.org/10.1051/medsci/20153103017DOI Listing
March 2015

Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions?

J Chem Inf Model 2014 Nov 17;54(11):3067-79. Epub 2014 Oct 17.

Université Paris Diderot, Sorbonne Paris Cité, UMRS 973 Inserm , Paris 75013, France.

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http://dx.doi.org/10.1021/ci500487qDOI Listing
November 2014

Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins.

Eur J Med Chem 2013 22;70:661-8. Epub 2013 Oct 22.

Enzymologie Moléculaire et Fonctionnelle, UR4, Université Pierre et Marie Curie - Sorbonne Universités (UPMC), case courrier 256, 7, quai St Bernard, 75252 Paris Cedex 05, France.

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http://dx.doi.org/10.1016/j.ejmech.2013.10.040DOI Listing
September 2014

Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737.

J Biomol Screen 2014 Aug 8;19(7):1035-46. Epub 2014 May 8.

CDithem. Faculté de Pharmacie, Lille, France; www.CDithem.com INSERM U761, Biostructures and Drug Discovery, Université de Lille, Institut Pasteur de Lille, IFR 142, PRIM, Lille, France

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http://dx.doi.org/10.1177/1087057114534070DOI Listing
August 2014

Discovery of novel inhibitors of vascular endothelial growth factor-A-Neuropilin-1 interaction by structure-based virtual screening.

Bioorg Med Chem 2014 Aug 7;22(15):4042-8. Epub 2014 Jun 7.

Université Paris 13, Sorbonne Paris Cité, EA4222, 74 rue Marcel Cachin, 93017 Bobigny cedex, France.

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http://dx.doi.org/10.1016/j.bmc.2014.05.068DOI Listing
August 2014

In silico mechanistic profiling to probe small molecule binding to sulfotransferases.

PLoS One 2013 6;8(9):e73587. Epub 2013 Sep 6.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, INSERM UMR-S 973, Paris, France ; INSERM, U973, Paris, France.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0073587PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3765257PMC
July 2014

Identification of novel small molecule inhibitors of activated protein C.

Thromb Res 2014 Jun 25;133(6):1105-14. Epub 2014 Jan 25.

Department of Biochemistry, Cardiovascular Research Institute Maastricht, Maastricht University, The Netherlands.

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http://dx.doi.org/10.1016/j.thromres.2014.01.026DOI Listing
June 2014

Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology.

Mol Inform 2014 Jun 2;33(6-7):414-437. Epub 2014 Jun 2.

Université Paris Diderot, Sorbonne Paris Cité UMRS 973 Inserm, Paris 75013, France ; Inserm, U973, Paris 75013 France.

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http://dx.doi.org/10.1002/minf.201400040DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4160817PMC
June 2014

Rational design of small molecules targeting the C2 domain of coagulation factor VIII.

Blood 2014 Jan 13;123(1):113-20. Epub 2013 Nov 13.

Department of Biochemistry, Cardiovascular Research Institute Maastricht, Maastricht University, The Netherlands;

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http://dx.doi.org/10.1182/blood-2013-05-503227DOI Listing
January 2014

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade.

Drug Discov Today 2013 Nov 3;18(21-22):1081-9. Epub 2013 Jul 3.

Université Paris Diderot, Sorbonne Paris Cité, Inserm UMR-S 973, Molécules Thérapeutiques In Silico, 39 rue Helene Brion, 75013 Paris, France. Electronic address:

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http://dx.doi.org/10.1016/j.drudis.2013.06.013DOI Listing
November 2013

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions.

Drug Discov Today 2013 Oct 17;18(19-20):958-68. Epub 2013 May 17.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques in silico, France; Inserm UMR-S 973, 39 rue Hélène Brion, 75205 Paris Cedex 13, France; CDithem, Faculté de Pharmacie, 1 rue du Prof Laguesse, 59000 Lille, France.

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http://dx.doi.org/10.1016/j.drudis.2013.05.003DOI Listing
October 2013

1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases.

Bioorg Med Chem Lett 2013 Aug 24;23(16):4547-51. Epub 2013 Jun 24.

Enzymologie Moléculaire et Fonctionnelle, UR4, Université Pierre et Marie Curie-Sorbonne Universités (UPMC), Case Courrier 256, 7, Quai St Bernard, 75252 Paris Cedex 05, France.

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http://dx.doi.org/10.1016/j.bmcl.2013.06.039DOI Listing
August 2013

Molecular basis of coagulation factor V deficiency caused by the R1698W inter-domain mutation.

Thromb Haemost 2013 Jul 25;110(1):31-8. Epub 2013 Apr 25.

Sara Calzavarini, PhD, Service and Central Laboratory of Hematology, Centre Hospitalier Universitaire Vaudois and University of Lausanne, Rue du Bugnon 46, CH-1011 Lausanne, Switzerland.

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http://dx.doi.org/10.1160/TH12-10-0780DOI Listing
July 2013

Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: effect of dimerisation on phosphatase inhibition.

Bioorg Med Chem Lett 2012 Dec 22;22(24):7345-50. Epub 2012 Oct 22.

Laboratoire de Chimie et Biochimie Pharmacologiques et Toxicologiques, UMR 8601 CNRS, Université Paris Descartes, PRES Paris cité, 45 rue des Saints-Pères, 75270 Paris Cedex 06, France.

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http://dx.doi.org/10.1016/j.bmcl.2012.10.072DOI Listing
December 2012

In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.

Mol Pharm 2012 Nov 25;9(11):3127-35. Epub 2012 Oct 25.

Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques in silico, Inserm UMR-S 973, 35 rue Helene Brion, 75013 Paris, France.

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http://dx.doi.org/10.1021/mp300234qDOI Listing
November 2012

Analysis of binding sites on complement factor I using artificial N-linked glycosylation.

J Biol Chem 2012 Apr 5;287(17):13572-83. Epub 2012 Mar 5.

Department of Laboratory Medicine, Medical Protein Chemistry, Malmö University Hospital, Lund University, S-205 02 Malmö, Sweden.

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http://dx.doi.org/10.1074/jbc.M111.326298DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3340171PMC
April 2012

Toward in silico structure-based ADMET prediction in drug discovery.

Drug Discov Today 2012 Jan 29;17(1-2):44-55. Epub 2011 Oct 29.

Inserm UMR-S 973, Molécules Thérapeutiques In Silico, Université Paris Diderot, Sorbonne Paris Cité, 35 Rue Helene Brion, 75013 Paris, France.

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http://dx.doi.org/10.1016/j.drudis.2011.10.023DOI Listing
January 2012

Established and emerging trends in computational drug discovery in the structural genomics era.

Chem Biol 2012 Jan;19(1):29-41

Center for Biological Sequences Analysis, Department of Systems Biology, Technical University of Denmark, 2800 Kongens Lyngby, Denmark.

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http://dx.doi.org/10.1016/j.chembiol.2011.12.007DOI Listing
January 2012

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.

Bioinformatics 2011 Jul 2;27(14):2018-20. Epub 2011 Jun 2.

MTi, Ressource Parisienne en Bioinformatique Structurale, Institut National de Santé et de Recherche Médicale (INSERM), UMR-S 973 - Paris Diderot University, 75205 Paris, Cedex 13, France.

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https://academic.oup.com/bioinformatics/article-lookup/doi/1
Publisher Site
http://dx.doi.org/10.1093/bioinformatics/btr333DOI Listing
July 2011

Three-dimensional structure generators of drug-like compounds: DG-AMMOS, an open-source package.

Expert Opin Drug Discov 2011 Mar 18;6(3):339-51. Epub 2011 Feb 18.

MTi, INSERM, UMR-S 973 - University Paris Diderot, 35 Rue Helene Brion, 75205 Paris Cedex 13, France ;

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http://dx.doi.org/10.1517/17460441.2011.554393DOI Listing
March 2011

Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane.

Biochem Biophys Res Commun 2010 Aug 3;399(3):396-401. Epub 2010 Aug 3.

Lund University, Department of Laboratory Medicine, Section for Clinical Chemistry, University Hospital Malmö, SE-205 02 Malmö, Sweden.

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http://dx.doi.org/10.1016/j.bbrc.2010.07.085DOI Listing
August 2010

In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors.

Curr Opin Struct Biol 2010 Apr 18;20(2):168-79. Epub 2010 Jan 18.

Inserm UMR-S 973, University Paris Diderot, 35 Rue Hélène Brion, Paris, France.

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http://dx.doi.org/10.1016/j.sbi.2009.12.016DOI Listing
April 2010

Rationalizing the chemical space of protein-protein interaction inhibitors.

Drug Discov Today 2010 Mar 5;15(5-6):220-9. Epub 2009 Dec 5.

CDithem Platform/IGM, 27 Rue Juliette Dodu, 75010 Paris, France.

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http://dx.doi.org/10.1016/j.drudis.2009.11.007DOI Listing
March 2010

Analysis of binding sites on complement factor I that are required for its activity.

J Biol Chem 2010 Feb 31;285(9):6235-45. Epub 2009 Dec 31.

Department of Laboratory Medicine, Medical Protein Chemistry, Malmö University Hospital, Lund University, S-205 02 Malmö, Sweden.

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http://dx.doi.org/10.1074/jbc.M109.097212DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2825419PMC
February 2010

Mutations in complement factor I as found in atypical hemolytic uremic syndrome lead to either altered secretion or altered function of factor I.

Eur J Immunol 2010 Jan;40(1):172-85

Department of Laboratory Medicine, Medical Protein Chemistry, Malmö University Hospital, Lund University, Sweden.

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http://dx.doi.org/10.1002/eji.200939280DOI Listing
January 2010

Novel organic proteasome inhibitors identified by virtual and in vitro screening.

J Med Chem 2010 Jan;53(1):509-13

Enzymologie Moleculaire et Fonctionnelle, UR4, UPMC-Universite de Paris 6, Case 256, 7 Quai Saint Bernard, F 75252 Paris Cedex 05, France.

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http://dx.doi.org/10.1021/jm9011092DOI Listing
January 2010

Structure-based virtual ligand screening: recent success stories.

Comb Chem High Throughput Screen 2009 Dec;12(10):1000-16

INSERM U973, University Paris 7, 75013 Paris, France.

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http://dx.doi.org/10.2174/138620709789824682DOI Listing
December 2009

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.

BMC Chem Biol 2009 Nov 13;9. Epub 2009 Nov 13.

MTI, INSERM U973 - University Paris Diderot, 5 rue Marie-Andrée Lagroua, 75205 Paris Cedex 13, France.

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http://dx.doi.org/10.1186/1472-6769-9-6DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781789PMC
November 2009

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space.

Eur J Med Chem 2009 Apr 21;44(4):1405-9. Epub 2008 Oct 21.

Université Paris Descartes, Inserm U648, 45 rue des Saints-Pères, 75006 Paris, France.

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http://dx.doi.org/10.1016/j.ejmech.2008.09.052DOI Listing
April 2009

Characterization of the complement inhibitory function of rhesus rhadinovirus complement control protein (RCP).

J Biol Chem 2009 Jan 6;284(1):505-14. Epub 2008 Nov 6.

Department of Laboratory Medicine, Lund University, University Hospital Malmö, Malmö S-20502, Sweden.

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http://dx.doi.org/10.1074/jbc.M806669200DOI Listing
January 2009

Genetic, molecular and functional analyses of complement factor I deficiency.

Eur J Immunol 2009 Jan;39(1):310-23

Department of Laboratory Medicine, Lund University, Malmö University Hospital, Malmö, Sweden.

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http://dx.doi.org/10.1002/eji.200838702DOI Listing
January 2009

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.

BMC Bioinformatics 2008 Oct 16;9:438. Epub 2008 Oct 16.

INSERM U648, Bioinformatics-MTI University Paris Diderot, 5 rue Marie-Andrée Lagroua, 75205 Paris Cedex 13, France.

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http://dx.doi.org/10.1186/1471-2105-9-438DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2588602PMC
October 2008

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.

BMC Bioinformatics 2008 Sep 24;9:396. Epub 2008 Sep 24.

INSERM U648, MTi team, Paris Descartes University, Paris Diderot University, Paris, France.

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http://dx.doi.org/10.1186/1471-2105-9-396DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2561050PMC
September 2008

Mapping of the factor Xa binding site on factor Va by site-directed mutagenesis.

J Biol Chem 2008 Jul 23;283(30):20805-12. Epub 2008 May 23.

Department of Laboratory Medicine, Division of Clinical Chemistry, Lund University, The Wallenberg Laboratory, MAS, SE-205 02 Malmö, Sweden.

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http://dx.doi.org/10.1074/jbc.M802703200DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3258925PMC
July 2008

A novel druglike spleen tyrosine kinase binder prevents anaphylactic shock when administered orally.

J Allergy Clin Immunol 2008 Jul 9;122(1):188-94, 194.e1-3. Epub 2008 Jun 9.

Institut de Recherche en Cancérologie de Montpellier, Institut National de la Santé et de la Recherche Médicale U896, Montpellier, France.

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http://linkinghub.elsevier.com/retrieve/pii/S009167490800770
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http://dx.doi.org/10.1016/j.jaci.2008.04.026DOI Listing
July 2008

In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics.

Curr Pharm Biotechnol 2008 Apr;9(2):103-22

c-Dithem, Inserm Consortium for Discovery and Innovation in Therapy and Medicine, France.

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http://dx.doi.org/10.2174/138920108783955218DOI Listing
April 2008

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.

BMC Bioinformatics 2008 Apr 10;9:184. Epub 2008 Apr 10.

INSERM, U648, 45 rue des Sts Peres, University Paris Descartes, 75006 Paris, France.

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http://dx.doi.org/10.1186/1471-2105-9-184DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2373571PMC
April 2008

Receptor-based virtual ligand screening for the identification of novel CDC25 phosphatase inhibitors.

J Chem Inf Model 2008 Jan 22;48(1):157-65. Epub 2007 Dec 22.

UFR biomédicale, Laboratoire de Pharmacochimie Moléculaire et Cellulaire, Université Paris Descartes, Paris, F-75006, France.

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http://dx.doi.org/10.1021/ci700313eDOI Listing
January 2008

Protein structure analysis online.

Curr Protoc Protein Sci 2007 Nov;Chapter 2:Unit 2.13

Inserm U648, University of Paris, Paris, France.

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http://dx.doi.org/10.1002/0471140864.ps0213s50DOI Listing
November 2007

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping.

J Chem Inf Model 2007 May-Jun;47(3):1097-110. Epub 2007 May 4.

INSERM U648, University Paris V, 45 rue des Sts peres, 75006 Paris, France.

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http://pubs.acs.org/doi/10.1021/ci700031v
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http://dx.doi.org/10.1021/ci700031vDOI Listing
September 2007

Structure-based virtual ligand screening with LigandFit: pose prediction and enrichment of compound collections.

Proteins 2007 Aug;68(3):712-25

INSERM U648, Université Paris 5, 75006 Paris, France.

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http://dx.doi.org/10.1002/prot.21405DOI Listing
August 2007

Free resources to assist structure-based virtual ligand screening experiments.

Curr Protein Pept Sci 2007 Aug;8(4):381-411

INSERM U648, University Paris V, 45 rue des Sts Peres, 75006 Paris, France.

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http://dx.doi.org/10.2174/138920307781369391DOI Listing
August 2007

Molecular characterization of the interaction between porins of Neisseria gonorrhoeae and C4b-binding protein.

J Immunol 2007 Jul;179(1):540-7

Department of Laboratory Medicine, Division of Medical Protein Chemistry, University of Lund, Malmö, Sweden.

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http://dx.doi.org/10.4049/jimmunol.179.1.540DOI Listing
July 2007

Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V.

Proc Natl Acad Sci U S A 2007 Jul 23;104(31):12697-702. Epub 2007 Jul 23.

Department of Biochemistry, Cardiovascular Research Institute Maastricht, Maastricht University, 6229 Maastricht, The Netherlands.

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http://dx.doi.org/10.1073/pnas.0701051104DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1937529PMC
July 2007

Functional analysis of the factor IX epidermal growth factor-like domain mutation Ile66Thr associated with mild hemophilia B.

Pathophysiol Haemost Thromb 2006 ;35(5):370-5

Department of Pediatrics, Lund University, University Hospital, Malmo, Sweden.

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http://dx.doi.org/10.1159/000097691DOI Listing
March 2007

Kaposi's sarcoma-associated herpes virus complement control protein: KCP--complement inhibition and more.

Mol Immunol 2007 Jan 14;44(1-3):11-22. Epub 2006 Aug 14.

Department of Laboratory Medicine, Lund University, University Hospital Malmö, Malmö S-20502, Sweden.

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http://dx.doi.org/10.1016/j.molimm.2006.06.018DOI Listing
January 2007

Receptor-based computational screening of compound databases: the main docking-scoring engines.

Curr Protein Pept Sci 2006 Oct;7(5):369-93

INSERM U648, University Paris V, 45 rue des Sts Peres, 75006 Paris, France.

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http://dx.doi.org/10.2174/138920306778559377DOI Listing
October 2006

FAF-Drugs: free ADME/tox filtering of compound collections.

Nucleic Acids Res 2006 Jul;34(Web Server issue):W738-44

Inserm U648, Paris 5 University, 45 rue des Sts Peres, 75006 Paris, France.

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http://dx.doi.org/10.1093/nar/gkl065DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1538885PMC
July 2006

Proposed structural models of the prothrombinase (FXa-FVa) complex.

Proteins 2006 May;63(3):440-50

INSERM U648, University Paris V, Paris, France.

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http://dx.doi.org/10.1002/prot.20848DOI Listing
May 2006

The Kaposi's sarcoma-associated herpesvirus complement control protein (KCP) binds to heparin and cell surfaces via positively charged amino acids in CCP1-2.

Mol Immunol 2006 Apr 26;43(10):1665-75. Epub 2006 Jan 26.

Department of Laboratory Medicine, Lund University, University Hospital Malmö, U-MAS, Wallenberg Laboratory, Entrance 46, 6th floor, S-20502 Malmö, Sweden.

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http://dx.doi.org/10.1016/j.molimm.2005.09.016DOI Listing
April 2006

A formylated hexapeptide ligand mimics the ability of Wnt-5a to impair migration of human breast epithelial cells.

J Biol Chem 2006 Feb 5;281(5):2740-9. Epub 2005 Dec 5.

Department of Laboratory Medicine, Experimental Pathology, Lund University, Malmö University Hospital, SE20502 Malmö, Sweden.

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http://dx.doi.org/10.1074/jbc.M508386200DOI Listing
February 2006

Prothrombin deficiency caused by compound heterozygosity for two novel mutations in the prothrombin gene associated with a bleeding tendency.

Thromb Haemost 2006 Jan;95(1):195-8

Department of Pediatrics, Storstrømmens Sygehus, Naestved, Denmark.

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January 2006

Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex.

J Med Chem 2005 Sep;48(19):6012-22

INSERM U648, University Paris 5, Paris 75006, France.

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http://dx.doi.org/10.1021/jm050262hDOI Listing
September 2005

Regulation of blood coagulation by the protein C anticoagulant pathway: novel insights into structure-function relationships and molecular recognition.

Arterioscler Thromb Vasc Biol 2005 Jul 28;25(7):1311-20. Epub 2005 Apr 28.

Department of Laboratory Medicine, Clinical Chemistry, Lund University, The Wallenberg Laboratory, University Hospital, Malmö, Sweden.

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http://dx.doi.org/10.1161/01.ATV.0000168421.13467.82DOI Listing
July 2005

PCE: web tools to compute protein continuum electrostatics.

Nucleic Acids Res 2005 Jul;33(Web Server issue):W372-5

INSERM U648, Faculté des Sciences Pharmaceutiques et Biologiques, University Paris 5, Paris 75006, France.

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http://dx.doi.org/10.1093/nar/gki365DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1160126PMC
July 2005

The anticoagulant protein C pathway.

FEBS Lett 2005 Jun 13;579(15):3310-6. Epub 2005 Mar 13.

Department of Laboratory Medicine, Clinical Chemistry, Lund University, The Wallenberg laboratory, University Hospital, Malmö, SE-205 02 Malmö, Sweden.

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http://doi.wiley.com/10.1016/j.febslet.2005.03.001
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June 2005

The gamma-carboxyglutamic acid domain of anticoagulant protein S is involved in activated protein C cofactor activity, independently of phospholipid binding.

Blood 2005 Jan 12;105(1):122-30. Epub 2004 Aug 12.

Institut Natioanl de la Santé et de la Recherche Médicale U428, Faculté des Sciences Pharmaceutique et Biologiques, IFR 71 Sciences du Médicament, Université Paris V, France.

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http://dx.doi.org/10.1182/blood-2004-06-2176DOI Listing
January 2005

Noonan syndrome type I with PTPN11 3 bp deletion: structure-function implications.

Proteins 2005 Jan;58(1):7-13

INSERM U428, Faculté des Sciences Pharmaceutiques et Biologiques, PARIS, France.

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http://dx.doi.org/10.1002/prot.20296DOI Listing
January 2005