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Items: 1 to 50 of 168

1.

Breast cancer targeting through inhibition of the endoplasmic reticulum-based apoptosis regulator Nrh/BCL2L10.

Nougarede A, Popgeorgiev N, Kassem L, Omarjee S, Borel S, Mikaelian I, Lopez J, Gadet R, Marcillat O, Treilleux I, Villoutreix BO, Rimokh R, Gillet G.

Cancer Res. 2018 Jan 12. pii: canres.0846.2017. doi: 10.1158/0008-5472.CAN-17-0846. [Epub ahead of print]

PMID:
29330143
2.

Expression and functional characterization of two natural heparin-binding site variants of antithrombin.

Dinarvand P, Yang L, Villoutreix BO, Rezaie AR.

J Thromb Haemost. 2018 Feb;16(2):330-341. doi: 10.1111/jth.13920. Epub 2018 Jan 8.

PMID:
29215785
3.

Identification of insulin-sensitizing molecules acting by disrupting the interaction between the Insulin Receptor and Grb14.

Gondoin A, Hampe C, Eudes R, Fayolle C, Pierre-Eugène C, Miteva M, Villoutreix BO, Charnay-Pouget F, Aitken DJ, Issad T, Burnol AF.

Sci Rep. 2017 Dec 4;7(1):16901. doi: 10.1038/s41598-017-17122-6.

4.

FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery.

Lagorce D, Bouslama L, Becot J, Miteva MA, Villoutreix BO.

Bioinformatics. 2017 Nov 15;33(22):3658-3660. doi: 10.1093/bioinformatics/btx491.

PMID:
28961788
5.

In silico model of the human ClC-Kb chloride channel: pore mapping, biostructural pathology and drug screening.

Louet M, Bitam S, Bakouh N, Bignon Y, Planelles G, Lagorce D, Miteva MA, Eladari D, Teulon J, Villoutreix BO.

Sci Rep. 2017 Aug 3;7(1):7249. doi: 10.1038/s41598-017-07794-5.

6.

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

Lagorce D, Oliveira N, Miteva MA, Villoutreix BO.

Drug Discov Today. 2017 Aug;22(8):1131-1133. doi: 10.1016/j.drudis.2017.05.017. Epub 2017 Jul 1. No abstract available.

PMID:
28676405
7.

AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.

Labbé CM, Pencheva T, Jereva D, Desvillechabrol D, Becot J, Villoutreix BO, Pajeva I, Miteva MA.

Nucleic Acids Res. 2017 Jul 3;45(W1):W350-W355. doi: 10.1093/nar/gkx397.

8.

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

Chen C, Yang L, Villoutreix BO, Wang X, Ding Q, Rezaie AR.

Thromb Haemost. 2017 Jun 28;117(7):1358-1369. doi: 10.1160/TH17-01-0043. Epub 2017 Apr 13.

PMID:
28405673
9.

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

Lagorce D, Douguet D, Miteva MA, Villoutreix BO.

Sci Rep. 2017 Apr 11;7:46277. doi: 10.1038/srep46277.

10.

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

Miteva MA, Villoutreix BO.

Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700008. Epub 2017 Feb 21. Review.

PMID:
28221002
11.

Blockade of the malignant phenotype by β-subunit selective noncovalent inhibition of immuno- and constitutive proteasomes.

Villoutreix BO, Khatib AM, Cheng Y, Miteva MA, Maréchal X, Vidal J, Reboud-Ravaux M.

Oncotarget. 2017 Feb 7;8(6):10437-10449. doi: 10.18632/oncotarget.14428.

12.

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

Isvoran A, Louet M, Vladoiu DL, Craciun D, Loriot MA, Villoutreix BO, Miteva MA.

Drug Discov Today. 2017 Feb;22(2):366-376. doi: 10.1016/j.drudis.2016.09.015. Epub 2016 Sep 28. Review.

PMID:
27693711
13.

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

Jagot-Lacoussiere L, Kotula E, Villoutreix BO, Bruzzoni-Giovanelli H, Poyet JL.

Cancer Res. 2016 Sep 15;76(18):5479-90. doi: 10.1158/0008-5472.CAN-16-0302. Epub 2016 Jul 12.

14.

Discoidin Domains as Emerging Therapeutic Targets.

Villoutreix BO, Miteva MA.

Trends Pharmacol Sci. 2016 Aug;37(8):641-59. doi: 10.1016/j.tips.2016.06.003. Epub 2016 Jun 29. Review.

PMID:
27372370
15.

Combining bioinformatics, chemoinformatics and experimental approaches to design chemical probes: Applications in the field of blood coagulation.

Villoutreix BO.

Ann Pharm Fr. 2016 Jul;74(4):253-66. doi: 10.1016/j.pharma.2016.03.006. Epub 2016 Apr 28. Review.

PMID:
27133312
16.

Genetic polymorphisms associated with increased risk of developing chronic myelogenous leukemia.

Bruzzoni-Giovanelli H, González JR, Sigaux F, Villoutreix BO, Cayuela JM, Guilhot J, Preudhomme C, Guilhot F, Poyet JL, Rousselot P.

Oncotarget. 2015 Nov 3;6(34):36269-77. doi: 10.18632/oncotarget.5915.

17.

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

Labbé CM, Kuenemann MA, Zarzycka B, Vriend G, Nicolaes GA, Lagorce D, Miteva MA, Villoutreix BO, Sperandio O.

Nucleic Acids Res. 2016 Jan 4;44(D1):D542-7. doi: 10.1093/nar/gkv982. Epub 2015 Oct 1.

18.

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

Martiny VY, Carbonell P, Chevillard F, Moroy G, Nicot AB, Vayer P, Villoutreix BO, Miteva MA.

Bioinformatics. 2015 Dec 15;31(24):3930-7. doi: 10.1093/bioinformatics/btv486. Epub 2015 Aug 26.

PMID:
26315915
19.

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

Lindström L, Villoutreix BO, Lehn S, Hellsten R, Nilsson E, Crneta E, Olsson R, Alvarado-Kristensson M.

Mol Cancer Res. 2015 Jul;13(7):1073-82. doi: 10.1158/1541-7786.MCR-15-0063-T. Epub 2015 May 1.

20.

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

Lagorce D, Sperandio O, Baell JB, Miteva MA, Villoutreix BO.

Nucleic Acids Res. 2015 Jul 1;43(W1):W200-7. doi: 10.1093/nar/gkv353. Epub 2015 Apr 16.

21.

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

Labbé CM, Rey J, Lagorce D, Vavruša M, Becot J, Sperandio O, Villoutreix BO, Tufféry P, Miteva MA.

Nucleic Acids Res. 2015 Jul 1;43(W1):W448-54. doi: 10.1093/nar/gkv306. Epub 2015 Apr 8.

22.

[Chemical libraries dedicated to protein-protein interactions].

Sperandio O, Villoutreix BO, Morelli X, Roche P.

Med Sci (Paris). 2015 Mar;31(3):312-9. doi: 10.1051/medsci/20153103017. Epub 2015 Apr 8. Review. French.

23.

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

Villoutreix BO, Taboureau O.

Adv Drug Deliv Rev. 2015 Jun 23;86:72-82. doi: 10.1016/j.addr.2015.03.003. Epub 2015 Mar 12. Review.

PMID:
25770776
24.

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

Kuenemann MA, Sperandio O, Labbé CM, Lagorce D, Miteva MA, Villoutreix BO.

Prog Biophys Mol Biol. 2015 Oct;119(1):20-32. doi: 10.1016/j.pbiomolbio.2015.02.006. Epub 2015 Mar 5. Review.

PMID:
25748546
25.

Functional characterization of two novel non-synonymous alterations in CD46 and a Q950H change in factor H found in atypical hemolytic uremic syndrome patients.

Mohlin FC, Nilsson SC, Levart TK, Golubovic E, Rusai K, Müller-Sacherer T, Arbeiter K, Pállinger É, Szarvas N, Csuka D, Szilágyi Á, Villoutreix BO, Prohászka Z, Blom AM.

Mol Immunol. 2015 Jun;65(2):367-76. doi: 10.1016/j.molimm.2015.02.013. Epub 2015 Feb 28.

PMID:
25733390
26.

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

Somajo S, Ahnström J, Fernandez-Recio J, Gierula M, Villoutreix BO, Dahlbäck B.

Thromb Haemost. 2015 May;113(5):976-87. doi: 10.1160/TH14-09-0803. Epub 2015 Feb 26.

PMID:
25716664
27.

DNA damage-induced nuclear translocation of Apaf-1 is mediated by nucleoporin Nup107.

Jagot-Lacoussiere L, Faye A, Bruzzoni-Giovanelli H, Villoutreix BO, Rain JC, Poyet JL.

Cell Cycle. 2015;14(8):1242-51. doi: 10.1080/15384101.2015.1014148.

28.

Theileria parasites secrete a prolyl isomerase to maintain host leukocyte transformation.

Marsolier J, Perichon M, DeBarry JD, Villoutreix BO, Chluba J, Lopez T, Garrido C, Zhou XZ, Lu KP, Fritsch L, Ait-Si-Ali S, Mhadhbi M, Medjkane S, Weitzman JB.

Nature. 2015 Apr 16;520(7547):378-82. doi: 10.1038/nature14044. Epub 2015 Jan 26.

29.

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

Kuenemann MA, Bourbon LM, Labbé CM, Villoutreix BO, Sperandio O.

J Chem Inf Model. 2014 Nov 24;54(11):3067-79. doi: 10.1021/ci500487q. Epub 2014 Oct 17.

PMID:
25285479
30.

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

Villoutreix BO, Kuenemann MA, Poyet JL, Bruzzoni-Giovanelli H, Labbé C, Lagorce D, Sperandio O, Miteva MA.

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

31.

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

Starzec A, Miteva MA, Ladam P, Villoutreix BO, Perret GY.

Bioorg Med Chem. 2014 Aug 1;22(15):4042-8. doi: 10.1016/j.bmc.2014.05.068. Epub 2014 Jun 7.

PMID:
24961874
32.

Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches.

Villemagne B, Flipo M, Blondiaux N, Crauste C, Malaquin S, Leroux F, Piveteau C, Villeret V, Brodin P, Villoutreix BO, Sperandio O, Soror SH, Wohlkönig A, Wintjens R, Deprez B, Baulard AR, Willand N.

J Med Chem. 2014 Jun 12;57(11):4876-88. doi: 10.1021/jm500422b. Epub 2014 May 28.

PMID:
24818704
33.

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

Mathieu AL, Sperandio O, Pottiez V, Balzarin S, Herlédan A, Elkaïm JO, Fogeron ML, Piveteau C, Dassonneville S, Deprez B, Villoutreix BO, Bonnefoy N, Leroux F.

J Biomol Screen. 2014 Aug;19(7):1035-46. doi: 10.1177/1087057114534070. Epub 2014 May 8.

PMID:
24809353
34.

Identification of novel small molecule inhibitors of activated protein C.

Sperandio O, Wildhagen KC, Schrijver R, Wielders S, Villoutreix BO, Nicolaes GA.

Thromb Res. 2014 Jun;133(6):1105-14. doi: 10.1016/j.thromres.2014.01.026. Epub 2014 Jan 25.

PMID:
24513148
35.

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

Nicolaes GA, Kulharia M, Voorberg J, Kaijen PH, Wroblewska A, Wielders S, Schrijver R, Sperandio O, Villoutreix BO.

Blood. 2014 Jan 2;123(1):113-20. doi: 10.1182/blood-2013-05-503227. Epub 2013 Nov 13.

36.

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

Tan X, Bertonati C, Qin L, Furio L, El Amri C, Hovnanian A, Reboud-Ravaux M, Villoutreix BO.

Eur J Med Chem. 2013;70:661-8. doi: 10.1016/j.ejmech.2013.10.040. Epub 2013 Oct 22.

PMID:
24211642
37.

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

Martiny VY, Carbonell P, Lagorce D, Villoutreix BO, Moroy G, Miteva MA.

PLoS One. 2013 Sep 6;8(9):e73587. doi: 10.1371/journal.pone.0073587. eCollection 2013.

38.

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

Tan X, Furio L, Reboud-Ravaux M, Villoutreix BO, Hovnanian A, El Amri C.

Bioorg Med Chem Lett. 2013 Aug 15;23(16):4547-51. doi: 10.1016/j.bmcl.2013.06.039. Epub 2013 Jun 24.

PMID:
23849879
39.

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction.

Pérot S, Regad L, Reynès C, Spérandio O, Miteva MA, Villoutreix BO, Camproux AC.

PLoS One. 2013 Jun 20;8(6):e63730. doi: 10.1371/journal.pone.0063730. Print 2013.

40.

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

Villoutreix BO, Lagorce D, Labbé CM, Sperandio O, Miteva MA.

Drug Discov Today. 2013 Nov;18(21-22):1081-9. doi: 10.1016/j.drudis.2013.06.013. Epub 2013 Jul 3. Review.

PMID:
23831439
41.

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

Labbé CM, Laconde G, Kuenemann MA, Villoutreix BO, Sperandio O.

Drug Discov Today. 2013 Oct;18(19-20):958-68. doi: 10.1016/j.drudis.2013.05.003. Epub 2013 May 17. Review.

PMID:
23688585
42.

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

Calzavarini S, Villoutreix BO, Lunghi B, Livaja R, Bernardi F, Dahlbäck B.

Thromb Haemost. 2013 Jul;110(1):31-8. doi: 10.1160/TH12-10-0780. Epub 2013 Apr 25.

PMID:
23616041
43.

1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome.

Maréchal X, Genin E, Qin L, Sperandio O, Montes M, Basse N, Richy N, Miteva MA, Reboud-Ravaux M, Vidal J, Villoutreix BO.

Curr Med Chem. 2013;20(18):2351-62.

PMID:
23531222
44.

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

Sarkis M, Tran DN, Kolb S, Miteva MA, Villoutreix BO, Garbay C, Braud E.

Bioorg Med Chem Lett. 2012 Dec 15;22(24):7345-50. doi: 10.1016/j.bmcl.2012.10.072. Epub 2012 Oct 22.

PMID:
23141909
45.

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

Chevillard F, Lagorce D, Reynès C, Villoutreix BO, Vayer P, Miteva MA.

Mol Pharm. 2012 Nov 5;9(11):3127-35. doi: 10.1021/mp300234q. Epub 2012 Oct 25.

PMID:
23072744
46.

A leap into the chemical space of protein-protein interaction inhibitors.

Villoutreix BO, Labbé CM, Lagorce D, Laconde G, Sperandio O.

Curr Pharm Des. 2012;18(30):4648-67. Review.

47.

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

Sanchez-Gallego JI, Groeneveld TW, Krentz S, Nilsson SC, Villoutreix BO, Blom AM.

J Biol Chem. 2012 Apr 20;287(17):13572-83. doi: 10.1074/jbc.M111.326298. Epub 2012 Mar 5.

48.

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

Taboureau O, Baell JB, Fernández-Recio J, Villoutreix BO.

Chem Biol. 2012 Jan 27;19(1):29-41. doi: 10.1016/j.chembiol.2011.12.007. Review.

49.

Targeting the proangiogenic VEGF-VEGFR protein-protein interface with drug-like compounds by in silico and in vitro screening.

Gautier B, Miteva MA, Goncalves V, Huguenot F, Coric P, Bouaziz S, Seijo B, Gaucher JF, Broutin I, Garbay C, Lesnard A, Rault S, Inguimbert N, Villoutreix BO, Vidal M.

Chem Biol. 2011 Dec 23;18(12):1631-9. doi: 10.1016/j.chembiol.2011.10.016.

50.

AMMOS software: method and application.

Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA.

Methods Mol Biol. 2012;819:127-41. doi: 10.1007/978-1-61779-465-0_9.

PMID:
22183534

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