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Bruno Villoutreix, PhD - Publications

Affiliations: 
2001-2008 Universite Paris Descartes, Paris, Île-de-France, France 
 2009- Université Paris Diderot - Paris 7, Paris, Île-de-France, France 
Area:
Bioinformatics
Website:
http://cvscience.aviesan.fr/cv/581/bruno-villoutreix
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70 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Picon S, Boulahjar R, Hoguet V, Baron M, Duplan I, Vallez E, Hennuyer N, Dumont J, Touche V, Dorchies E, Lasalle M, Descat A, Piveteau C, Biela A, Chaput L, ... Villoutreix BO, et al. Discovery, Structure-Activity Relationships, and In Vivo Activity of Dihydropyridone Agonists of the Bile Acid Receptor TGR5. Journal of Medicinal Chemistry. 66: 11732-11760. PMID 37639383 DOI: 10.1021/acs.jmedchem.2c01881  0.39
2022 Singh N, Villoutreix BO. A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces. International Journal of Molecular Sciences. 23. PMID 36430841 DOI: 10.3390/ijms232214364  0.406
2022 Tanwar S, Auberger P, Gillet G, DiPaola M, Tsaioun K, Villoutreix BO. A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides. Data in Brief. 42: 108159. PMID 35496477 DOI: 10.1016/j.dib.2022.108159  0.395
2021 Lessigiarska I, Peng Y, Tsakovska I, Alov P, Lagarde N, Jereva D, Villoutreix BO, Nicot AB, Pajeva I, Pencheva T, Miteva MA. Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases. Molecules (Basel, Switzerland). 26. PMID 34770768 DOI: 10.3390/molecules26216360  0.35
2021 Singh N, Villoutreix BO. Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises. Computational and Structural Biotechnology Journal. 19: 2537-2548. PMID 33936562 DOI: 10.1016/j.csbj.2021.04.059  0.338
2020 Singh N, Chaput L, Villoutreix BO. Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces. Journal of Chemical Information and Modeling. PMID 32786511 DOI: 10.1021/acs.jcim.0c00545  0.489
2020 Singh N, Decroly E, Khatib AM, Villoutreix BO. Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages. European Journal of Pharmaceutical Sciences : Official Journal of the European Federation For Pharmaceutical Sciences. 153: 105495. PMID 32730844 DOI: 10.1016/j.ejps.2020.105495  0.388
2020 Chaput L, Guillaume V, Singh N, Deprez B, Villoutreix BO. FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases. Bioinformatics (Oxford, England). PMID 32399567 DOI: 10.1093/bioinformatics/btaa494  0.349
2020 Bosc N, Muller C, Hoffer L, Lagorce D, Bourg S, Derviaux C, Gourdel ME, Rain JC, Miller TW, Villoutreix BO, Miteva MA, Bonnet P, Morelli X, Sperandio O, Roche P. Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions. Acs Chemical Biology. 15: 1566-1574. PMID 32320205 DOI: 10.1021/acschembio.0c00179  0.504
2020 Singh N, Chaput L, Villoutreix BO. Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace. Briefings in Bioinformatics. PMID 32187356 DOI: 10.1093/bib/bbaa034  0.408
2019 Lagarde N, Goldwaser E, Pencheva T, Jereva D, Pajeva I, Rey J, Tuffery P, Villoutreix BO, Miteva MA. A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments. International Journal of Molecular Sciences. 20. PMID 31546814 DOI: 10.3390/Ijms20184648  0.457
2019 Trisciuzzi D, Nicolotti O, Miteva MA, Villoutreix BO. Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors. Drug Discovery Today. 24: 551-559. PMID 30472428 DOI: 10.1016/j.drudis.2018.11.013  0.393
2018 Lagarde N, Rey J, Gyulkhandanyan A, Tufféry P, Miteva MA, Villoutreix BO. Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets. Oncotarget. 9: 32346-32361. PMID 30190791 DOI: 10.18632/Oncotarget.25966  0.444
2017 Lagorce D, Bouslama L, Becot J, Miteva MA, Villoutreix BO. FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery. Bioinformatics (Oxford, England). 33: 3658-3660. PMID 28961788 DOI: 10.1093/bioinformatics/btx491  0.303
2017 Labbé CM, Pencheva T, Jereva D, Desvillechabrol D, Becot J, Villoutreix BO, Pajeva I, Miteva MA. AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics. Nucleic Acids Research. 45: W350-W355. PMID 28486703 DOI: 10.1093/nar/gkx397  0.325
2017 Lagorce D, Douguet D, Miteva MA, Villoutreix BO. Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors. Scientific Reports. 7: 46277. PMID 28397808 DOI: 10.1038/srep46277  0.384
2017 Miteva MA, Villoutreix BO. Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties. Molecular Informatics. 36. PMID 28221002 DOI: 10.1002/minf.201700008  0.38
2017 Villoutreix BO, Khatib AM, Cheng Y, Miteva MA, Maréchal X, Vidal J, Reboud-Ravaux M. Blockade of the malignant phenotype by β-subunit selective noncovalent inhibition of immuno- and constitutive proteasomes. Oncotarget. PMID 28060729 DOI: 10.18632/oncotarget.14428  0.333
2016 Villoutreix BO. Combining bioinformatics, chemoinformatics and experimental approaches to design chemical probes: Applications in the field of blood coagulation. Annales Pharmaceutiques Francaises. 74: 253-66. PMID 27133312 DOI: 10.1016/j.pharma.2016.03.006  0.327
2015 Labbé CM, Kuenemann MA, Zarzycka B, Vriend G, Nicolaes GA, Lagorce D, Miteva MA, Villoutreix BO, Sperandio O. iPPI-DB: an online database of modulators of protein-protein interactions. Nucleic Acids Research. PMID 26432833 DOI: 10.1093/Nar/Gkv982  0.339
2015 Martiny VY, Carbonell P, Chevillard F, Moroy G, Nicot AB, Vayer P, Villoutreix BO, Miteva MA. Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6. Bioinformatics (Oxford, England). 31: 3930-7. PMID 26315915 DOI: 10.1093/Bioinformatics/Btv486  0.302
2015 Lagorce D, Sperandio O, Baell JB, Miteva MA, Villoutreix BO. FAF-Drugs3: a web server for compound property calculation and chemical library design. Nucleic Acids Research. 43: W200-7. PMID 25883137 DOI: 10.1093/nar/gkv353  0.403
2015 Labbé CM, Rey J, Lagorce D, Vavruša M, Becot J, Sperandio O, Villoutreix BO, Tufféry P, Miteva MA. MTiOpenScreen: a web server for structure-based virtual screening. Nucleic Acids Research. 43: W448-54. PMID 25855812 DOI: 10.1093/nar/gkv306  0.501
2015 Sperandio O, Villoutreix BO, Morelli X, Roche P. Chemical libraries dedicated to protein-protein interactions | Les chimiothèques ciblant les interactions protéine-protéine Medecine/Sciences. 31: 312-319. PMID 25855285 DOI: 10.1051/medsci/20153103017  0.342
2015 Kuenemann MA, Sperandio O, Labbé CM, Lagorce D, Miteva MA, Villoutreix BO. In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances. Progress in Biophysics and Molecular Biology. 119: 20-32. PMID 25748546 DOI: 10.1016/j.pbiomolbio.2015.02.006  0.351
2014 Kuenemann MA, Bourbon LM, Labbé CM, Villoutreix BO, Sperandio O. Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions? Journal of Chemical Information and Modeling. 54: 3067-79. PMID 25285479 DOI: 10.1021/ci500487q  0.328
2014 Starzec A, Miteva MA, Ladam P, Villoutreix BO, Perret GY. Discovery of novel inhibitors of vascular endothelial growth factor-A-Neuropilin-1 interaction by structure-based virtual screening. Bioorganic & Medicinal Chemistry. 22: 4042-8. PMID 24961874 DOI: 10.1016/j.bmc.2014.05.068  0.392
2014 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. Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737. Journal of Biomolecular Screening. 19: 1035-1046. PMID 24809353 DOI: 10.1177/1087057114534070  0.405
2014 Nicolaes GA, Kulharia M, Voorberg J, Kaijen PH, Wroblewska A, Wielders S, Schrijver R, Sperandio O, Villoutreix BO. Rational design of small molecules targeting the C2 domain of coagulation factor VIII. Blood. 123: 113-20. PMID 24227818 DOI: 10.1182/Blood-2013-05-503227  0.351
2014 Siddiqi AR, Nioche P, Siddiqui AB, Rauf SA, Waseem A, Villoutreix BO. Efficiency of a hierarchical docking protocol for computational ligand screening against homology models Biomedical Engineering - Applications, Basis and Communications. 26. DOI: 10.4015/S1016237214500240  0.427
2013 Tan X, Bertonati C, Qin L, Furio L, El Amri C, Hovnanian A, Reboud-Ravaux M, Villoutreix BO. Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins. European Journal of Medicinal Chemistry. 70: 661-8. PMID 24211642 DOI: 10.1016/j.ejmech.2013.10.040  0.433
2013 Maingot L, Elbakali J, Dumont J, Bosc D, Cousaert N, Urban A, Deglane G, Villoutreix B, Nagase H, Sperandio O, Leroux F, Deprez B, Deprez-Poulain R. Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group. European Journal of Medicinal Chemistry. 69: 244-61. PMID 24044937 DOI: 10.1016/J.Ejmech.2013.08.027  0.508
2013 Martiny VY, Carbonell P, Lagorce D, Villoutreix BO, Moroy G, Miteva MA. In silico mechanistic profiling to probe small molecule binding to sulfotransferases. Plos One. 8: e73587. PMID 24039991 DOI: 10.1371/journal.pone.0073587  0.401
2013 Pérot S, Regad L, Reynès C, Spérandio O, Miteva MA, Villoutreix BO, Camproux AC. Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction. Plos One. 8: e63730. PMID 23840299 DOI: 10.1371/journal.pone.0063730  0.327
2013 Labbé CM, Laconde G, Kuenemann MA, Villoutreix BO, Sperandio O. iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions. Drug Discovery Today. 18: 958-68. PMID 23688585 DOI: 10.1016/j.drudis.2013.05.003  0.353
2013 Maréchal X, Genin E, Qin L, Sperandio O, Montes M, Basse N, Richy N, Miteva MA, Reboud-Ravaux M, Vidal J, Villoutreix BO. 1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome. Current Medicinal Chemistry. 20: 2351-62. PMID 23531222 DOI: 10.2174/0929867311320180006  0.672
2013 Marechal X, Genin E, Qin L, Sperandio O, Montes M, Basse N, Richy N, Miteva M, Reboud-Ravaux M, Vidal J, Villoutreix B. 1,2,4-Oxadiazoles Identified by Virtual Screening and their Non-Covalent Inhibition of the Human 20S Proteasome Current Medicinal Chemistry. 888: 1-12. DOI: 10.2174/09298673113208880017  0.345
2012 Sarkis M, Tran DN, Kolb S, Miteva MA, Villoutreix BO, Garbay C, Braud E. Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: Effect of dimerisation on phosphatase inhibition Bioorganic and Medicinal Chemistry Letters. 22: 7345-7350. PMID 23141909 DOI: 10.1016/J.Bmcl.2012.10.072  0.349
2012 Villoutreix BO, Labbé CM, Lagorce D, Laconde G, Sperandio O. A leap into the chemical space of protein-protein interaction inhibitors. Current Pharmaceutical Design. 18: 4648-67. PMID 22650260 DOI: 10.2174/138161212802651571  0.36
2012 Taboureau O, Baell JB, Fernández-Recio J, Villoutreix BO. Established and emerging trends in computational drug discovery in the structural genomics era. Chemistry & Biology. 19: 29-41. PMID 22284352 DOI: 10.1016/j.chembiol.2011.12.007  0.385
2012 Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA. AMMOS software: method and application. Methods in Molecular Biology (Clifton, N.J.). 819: 127-41. PMID 22183534 DOI: 10.1007/978-1-61779-465-0_9  0.482
2012 Moroy G, Martiny VY, Vayer P, Villoutreix BO, Miteva MA. Toward in silico structure-based ADMET prediction in drug discovery. Drug Discovery Today. 17: 44-55. PMID 22056716 DOI: 10.1016/j.drudis.2011.10.023  0.313
2011 Lagorce D, Villoutreix BO, Miteva MA. Three-dimensional structure generators of drug-like compounds: DG-AMMOS, an open-source package. Expert Opinion On Drug Discovery. 6: 339-51. PMID 22647207 DOI: 10.1517/17460441.2011.554393  0.405
2011 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. Targeting the proangiogenic VEGF-VEGFR protein-protein interface with drug-like compounds by in silico and in vitro screening. Chemistry & Biology. 18: 1631-9. PMID 22195565 DOI: 10.1016/J.Chembiol.2011.10.016  0.409
2011 Villoutreix BO, Laconde G, Lagorce D, Martineau P, Miteva MA, Dariavach P. Tyrosine kinase syk non-enzymatic inhibitors and potential anti-allergic drug-like compounds discovered by virtual and in vitro screening. Plos One. 6: e21117. PMID 21701581 DOI: 10.1371/journal.pone.0021117  0.468
2011 Lagorce D, Maupetit J, Baell J, Sperandio O, Tufféry P, Miteva MA, Galons H, Villoutreix BO. The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections. Bioinformatics (Oxford, England). 27: 2018-20. PMID 21636592 DOI: 10.1093/Bioinformatics/Btr333  0.356
2010 Maingot L, Leroux F, Landry V, Dumont J, Nagase H, Villoutreix B, Sperandio O, Deprez-Poulain R, Deprez B. New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold. Bioorganic & Medicinal Chemistry Letters. 20: 6213-6. PMID 20846863 DOI: 10.1016/J.Bmcl.2010.08.108  0.516
2010 Pérot S, Sperandio O, Miteva MA, Camproux AC, Villoutreix BO. Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery. Drug Discovery Today. 15: 656-67. PMID 20685398 DOI: 10.1016/j.drudis.2010.05.015  0.384
2010 Sperandio O, Mouawad L, Pinto E, Villoutreix BO, Perahia D, Miteva MA. How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis. European Biophysics Journal : Ebj. 39: 1365-72. PMID 20237920 DOI: 10.1007/s00249-010-0592-0  0.366
2010 Reynès C, Host H, Camproux AC, Laconde G, Leroux F, Mazars A, Deprez B, Fahraeus R, Villoutreix BO, Sperandio O. Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods. Plos Computational Biology. 6: e1000695. PMID 20221258 DOI: 10.1371/journal.pcbi.1000695  0.499
2010 Sperandio O, Reynès CH, Camproux AC, Villoutreix BO. Rationalizing the chemical space of protein-protein interaction inhibitors. Drug Discovery Today. 15: 220-9. PMID 19969101 DOI: 10.1016/j.drudis.2009.11.007  0.37
2010 Basse N, Montes M, Maréchal X, Qin L, Bouvier-Durand M, Genin E, Vidal J, Villoutreix BO, Reboud-Ravaux M. Novel organic proteasome inhibitors identified by virtual and in vitro screening. Journal of Medicinal Chemistry. 53: 509-13. PMID 19919035 DOI: 10.1021/Jm9011092  0.694
2009 Villoutreix BO, Eudes R, Miteva MA. Structure-based virtual ligand screening: recent success stories. Combinatorial Chemistry & High Throughput Screening. 12: 1000-16. PMID 20025565 DOI: 10.2174/138620709789824682  0.517
2009 Lagorce D, Pencheva T, Villoutreix BO, Miteva MA. 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 Chemical Biology. 9: 6. PMID 19912625 DOI: 10.1186/1472-6769-9-6  0.459
2009 Kolb S, Mondésert O, Goddard ML, Jullien D, Villoutreix BO, Ducommun B, Garbay C, Braud E. Development of novel thiazolopyrimidines as CDC25B phosphatase inhibitors. Chemmedchem. 4: 633-48. PMID 19212959 DOI: 10.1002/Cmdc.200800415  0.36
2008 Sperandio O, Miteva MA, Segers K, Nicolaes GA, Villoutreix BO. Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments. The Open Biochemistry Journal. 2: 29-37. PMID 18949072 DOI: 10.2174/1874091X00802010029  0.467
2008 Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA. AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening. Bmc Bioinformatics. 9: 438. PMID 18925937 DOI: 10.1186/1471-2105-9-438  0.501
2008 Lagorce D, Sperandio O, Galons H, Miteva MA, Villoutreix BO. FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects. Bmc Bioinformatics. 9: 396. PMID 18816385 DOI: 10.1186/1471-2105-9-396  0.352
2008 Sauton N, Lagorce D, Villoutreix BO, Miteva MA. MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening. Bmc Bioinformatics. 9: 184. PMID 18402678 DOI: 10.1186/1471-2105-9-184  0.527
2008 Villoutreix BO, Bastard K, Sperandio O, Fahraeus R, Poyet JL, Calvo F, Déprez B, Miteva MA. In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics. Current Pharmaceutical Biotechnology. 9: 103-22. PMID 18393867 DOI: 10.2174/138920108783955218  0.32
2008 Montes M, Braud E, Miteva MA, Goddard ML, Mondésert O, Kolb S, Brun MP, Ducommun B, Garbay C, Villoutreix BO. Receptor-based virtual ligand screening for the identification of novel CDC25 phosphatase inhibitors. Journal of Chemical Information and Modeling. 48: 157-65. PMID 18154280 DOI: 10.1021/Ci700313E  0.699
2007 Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M, Miteva MA. Free resources to assist structure-based virtual ligand screening experiments. Current Protein & Peptide Science. 8: 381-411. PMID 17696871 DOI: 10.2174/138920307781369391  0.693
2007 Segers K, Sperandio O, Sack M, Fischer R, Miteva MA, Rosing J, Nicolaes GA, Villoutreix BO. Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V. Proceedings of the National Academy of Sciences of the United States of America. 104: 12697-702. PMID 17646652 DOI: 10.1073/Pnas.0701051104  0.397
2007 Montes M, Miteva MA, Villoutreix BO. Structure-based virtual ligand screening with LigandFit: Pose prediction and enrichment of compound collections Proteins: Structure, Function and Genetics. 68: 712-725. PMID 17510958 DOI: 10.1002/Prot.21405  0.698
2007 Leite TB, Gomes D, Miteva MA, Chomilier J, Villoutreix BO, Tufféry P. Frog: a FRee Online druG 3D conformation generator. Nucleic Acids Research. 35: W568-72. PMID 17485475 DOI: 10.1093/nar/gkm289  0.333
2007 Sperandio O, Andrieu O, Miteva MA, Vo MQ, Souaille M, Delfaud F, Villoutreix BO. MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping. Journal of Chemical Information and Modeling. 47: 1097-110. PMID 17477521 DOI: 10.1021/ci700031v  0.469
2006 Sperandio O, Miteva MA, Delfaud F, Villoutreix BO. Receptor-based computational screening of compound databases: the main docking-scoring engines. Current Protein & Peptide Science. 7: 369-93. PMID 17073691 DOI: 10.2174/138920306778559377  0.487
2006 Miteva MA, Violas S, Montes M, Gomez D, Tuffery P, Villoutreix BO. FAF-Drugs: free ADME/tox filtering of compound collections. Nucleic Acids Research. 34: W738-44. PMID 16845110 DOI: 10.1093/Nar/Gkl065  0.659
2005 Miteva MA, Lee WH, Montes MO, Villoutreix BO. Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex. Journal of Medicinal Chemistry. 48: 6012-22. PMID 16162004 DOI: 10.1021/jm050262h  0.691
1996 Villoutreix B, Lilja H, Pettersson K, Lövgren T, Teleman O. Structural investigation of the alpha-1-antichymotrypsin: Prostate-specific antigen complex by comparative model building Protein Science. 5: 836-851. PMID 8732755 DOI: 10.1002/Pro.5560050505  0.322
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