2021

 

Salinas M, Kessler P, Douguet D, Sarraf D, Tonali N, Thai R, Servent D, Lingueglia E., Mambalgin-1 pain-relieving peptide locks the hinge between α4 and α5 helices to inhibit rat Acid-Sensing Ion Channel 1a., Neuropharmacology, 2021, Jan 12:108453.

doi: 10.1016/j.neuropharm.2021.108453

 

2020

 

Douguet D. and Payan F, SENSAAS: Shape‐based Alignment by Registration of Colored Point‐based Surfaces, Molecular Informatics, 2020, 8, 2000081.

doi: 10.1002/minf.202000081

 

Signetti, L.; Elizarov, N.; Simsir, M.; Paquet, A.; Douguet, D.; Labbal, F.; Debayle, D.; Di Giorgio, A.; Biou, V.; Girard, C.; Duca, M.; Bretillon, L.; Bertolotto, C.; Verrier, B.; Azoulay, S.; Mus-Veteau, I. Inhibition of Patched Drug Efflux Increases Vemurafenib Effectiveness against Resistant BrafV600E Melanoma. Cancers, 2020, 12, 1500.

doi: 10.3390/cancers12061500

 

2019

 

Review:

Douguet D., Patel A., Xu A., Vanhoutte P.M. and Honoré E., Force-gated Piezo ion channels in cardiovascular mechanobiology, TIPS, 2019, 40(12); 956-970.

doi: 10.1016/j.tips.2019.10.002

 

Review:

Douguet D.,  Honoré E., Mammalian Mechanoelectrical Transduction: Structure and Function of Force-Gated Ion Channels, Cell, 2019, 179(3); 340-354.

doi: 10.1016/j.cell.2019.08.049

 

Review:

Douguet D., Patel A., Honoré E., Structure and function of polycystins: insights into polycystic kidney disease, Nat Rev Nephrol., 2019, 15(7); 412-422.

doi: 10.1038/s41581-019-0143-6

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2018

 

Douguet D., Data sets representative of the Structures and Experimental Properties of FDA-approved Drugs, ACS Med Chem Lett., 2018, 9(3):204-209.

doi: 10.1021/acsmedchemlett.7b00462

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2017

 

Lagorce D., Douguet D., Miteva M., Villoutreix B., Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors, Sci Rep. 2017, 7:46277.

doi: 10.1038/srep46277

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2016

 

Ahmed-Belkacem A., Colliandre L., Ahnou N., Nevers Q., Gelin M., Bessin Y., Brillet R., Cala O., Douguet D., Bourguet W., Krimm I., Pawlotsky J.M., Guichou J.F., Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities, Nat Commun. 2016, 7:12777.

doi: 10.1038/ncomms12777

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Foti R.S., Diaz P. and Douguet D., Comparison of the Ligand Binding Site of CYP2C8 with CYP26A1 and CYP26B1: A Structural Basis for the Identification of New Inhibitors of the Retinoic Acid Hydroxylases, J. Enzyme Inhib. Med. Chem., 2016, 31(sup2):148-161.

doi: 10.1080/14756366.2016.1193734

hal-02115416

 

Foti R.S., Isoherranen N., Zelter A., Dickmann L.J., Buttrick B.R., Diaz P. and Douguet D., Identification of Tazarotenic Acid as the First Xenobiotic Substrate of Human Retinoic Acid Hydroxylase CYP26A1 and CYP26B1, J Pharmacol Exp Ther., 2016, 357(2):281-92.

doi: 10.1124/jpet.116.232637

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Delgadillo R.F., Parker M.L., Lebrun M., Boulanger M.J. and Douguet D., Stability of the Plasmodium falciparum AMA1-RON2 complex is governed by the Domain II (DII) loop, PLoS One, 2016, 11(1).

doi: 10.1371/journal.pone.0144764

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Mourier G., Salinas M., Kessler P., Stura E.A., Leblanc M., Tepshi L., Besson T., Diochot S., Baron A., Douguet D., Lingueglia E., Servent D., Mambalgin-1 pain-relieving peptide: stepwise solid-phase synthesis, crystal structure and functional domain for acid-sensing ion channel 1a inhibition, J. Biol. Chem., 2016, 291(6):2616-29.

doi: 10.1074/jbc.M115.702373

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2015

 

Pihan E., Delgadillo R.F., Tonkin M.L., Pugnière M., Lebrun M., Boulanger M.J. and Douguet D., Computational and Biophysical Approaches to Protein-Protein Interaction Inhibition of Plasmodium falciparum AMA1/RON2 complex, J Comput Aided Mol Des, 2015, 29(6), 525-39.

doi: 10.1007/s10822-015-9842-7

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Contet A., Pihan E., Lavigne M., Wengelnik K., Maheshwari S., Vial H. Douguet D.* and Cerdan R.*, Plasmodium falciparum CTP:phosphocholine cytidylyltransferase possesses two functional catalytic domains and is inhibited by a CDP-choline analog selected from a virtual screening, FEBS Lett., 2015, 589(9), 992-1000.

doi: 10.1016/j.febslet.2015.03.003

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* equivalent last authors

 

2014

 

Salinas M., Besson T., Delettre Q., Diochot S., Boulakirba S., Douguet D.*, Lingueglia E.*, Binding Site and Inhibitory Mechanism of the Mambalgin-2 Pain-Relieving Peptide on Acid-Sensing Ion Channel 1a, J. Biol. Chem., 2014, 289(19), 13363-73.

doi: 10.1074/jbc.M114.561076

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* equivalent last authors

 

2013

 

Chatelain F.C., Bichet D;, Feliciangeli S., Larroque M.M., Braud V.M ., Douguet D., Lesage F., THIK2 potassium channel silencing relies on combined intracellular retention and low intrinsic activity at the plasma membrane, J Biol Chem., 2013, 288(49), 35081-35092.

doi:10.1074/jbc.M113.503318

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Maheshwari S., Lavigne M., Contet A., Alberge B., Pihan E., Kocken C., Wengelnik K., Douguet D., Vial H. and Cerdan R., Biochemical characterization of Plasmodium falciparum CTP:phosphoethanolamine cytidylyltransferase shows that only one of the two cytidylyltransferase domains is active, Biochem J., 2013, 450(1), 159-167.

doi: 10.1042/BJ20121480

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2012

 

Diochot S., Baron A., Salinas M., Douguet D., Scarzello S., Dabert-Gay A.-S., Debayle D., Friend V., Alloui A., Lazdunski M. and Lingueglia E., Black mamba venom peptides target acid-sensing ion channels to abolish pain, Nature, 2012, 490(7421), 552-555.

doi: 10.1038/nature11494

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Comments in: Analgesics: Deadly snake venom for pain relief? Flemming A. Nat Rev Drug Discov. 2012 Dec; 11(12):906-7.

 

Pihan E., Colliandre L., Guichou J.-F. and Douguet D., e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design, Bioinformatics, 2012, 28(11), 1540-1541.

doi: 10.1093/bioinformatics/bts186

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Chatelain F.C., Bichet D., Douguet D., Feliciangeli S., Bendahhou S., Reichold M., Warth R., Barhanin J. and Lesage F., TWIK1, a unique background channel with variable ion selectivity, Proc Natl Acad Sci U S A., 2012, 109(14), 5499-504.

doi: 10.1073/pnas.1201132109

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2011

 

Tonkin M.L., Roques M., Lamarque M.H., Pugnière M., Douguet D., Crawford J., Lebrun M., and Boulanger M.J., Host cell invasion by Apicomplexan parasites: Insights from the structure of AMA1 in complex with a RON2 peptide, Science, 2011, 333(6041), 463-467.

doi: 10.1126/science.1204988

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Editor’s choice of Science Signaling: V. Vinson, Built to Invade. Sci. Signal. 4, ec209 (2011).

 

Jemel I., Ii H., Oslund R. C., Payré C., Dabert-Gay A.-S., Douguet D., Chargui R., Scarzello S., Gelb M. H., and Lambeau G., Group X Secreted Phospholipase A2 Proenzyme Is Matured By a Furin-Like Proprotein Convertase and Releases Arachidonic Acid Inside of Human HEK293 Cells, J.Biol.Chem., 2011, 286(42), 36509-36521.

doi: 10.1074/jbc.M111.268540

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Melko M., Douguet D., Bensaid M., Zongaro S., Verheggen S., Gecz J. and Bardoni B., Functional characterization of the AFF (AF4/FMR2) family of RNA binding proteins: insights into the molecular pathology of FRAXE intellectual disability, Human Molecular Genetics, 2011, 20(10), 1873-1885.

doi: 10.1093/hmg/ddr069

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de Saint-Jean M., Delfosse V., Douguet D., Chicanne G., Payrastre B., Bourguet W., Antonny B., Drin G., Osh4p exchanges sterols for phosphatidylinositol 4-phosphate between lipid bilayers, J Cell Biol., 2011,  195(6), 965-978.

doi: 10.1083/jcb.201104062

hal-00724253v1

 

2010

 

Douguet D., e-LEA3D: a computational-aided drug design web server, Nucleic Acids Res., 2010, 38, Suppl:W615-21.

            doi:10.1093/nar/gkq322

hal-00497221v1

 

2009

 

Sandoz G, Douguet D, Chatelain F, Lazdunski M and Lesage F., Extracellular acidification exerts opposite actions on TREK1 and TREK2 potassium channels via a single conserved histidine residue, Proc Natl Acad Sci U S A., 2009, 106(34), 14628-14633.

Editor’s choice of Science Signaling: E. M. Adler, Twins Don’t Always Act Alike. Sci. Signal. 2, ec292 (2009).

doi: 10.1073/pnas.0906267106

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Doghman M., Cazareth J., Douguet D., Madoux F. Hodder P. and Lalli E., Inhibition of human adrenocortical carcinoma cells proliferation by SF-1 inverse agonists, Journal of Clinical Endocrinology & Metabolism, 2009, 94(6), 2178-2183.

doi: 10.1210/jc.2008-2163

hal-00417317v1

 

2008

 

Review:

Douguet D., Ligand-based approaches in virtual screening, Current Computer-Aided Drug Design, 2008, 4, 180-190.

doi: 10.2174/157340908785747456

hal-02115744

 

Zhu Z., Tovchigrechko A., Baronova T., Gao Y., Douguet D., Otoole N. and Vakser  I.A., Large-scale structural modelling of protein complexes at low resolution, Journal of Bioinformatics and Computational Biology, 2008, 6(4), 789-810.

doi: 10.1142/s0219720008003679

 

Gautier R., Douguet D., Antonny B. and Drin G., HELIQUEST: a web server to screen sequences with specific a-helical properties, Bioinformatics, 2008, 24(18), 2101-2102.

doi: 10.1093/bioinformatics/btn392

hal-00311956v1

 

Gasse C., Douguet D., Huteau V., Marchal G., Munier-Lehmann H. and Pochet S, Substituted benzyl-pyrimidines targeting thymidine monophosphate kinase of Mycobacterium Tuberculosis: Synthesis and in vitro anti-mycrobial activity, Bioorg. Med. Chem., 2008, 16(11), 6075-6085.

doi: 10.1016/j.bmc.2008.04.045

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Familiar O., Munier-Lehmann H., Negri A., Gago F., Douguet D., Rigouts L., Hernandez A.- I., Camarasa M.-J. and Perez-Perez M.-J., Exploring Acyclic Nucleoside Analogues as Inhibitors of Mycobacterium tuberculosis Thymidylate Kinase, ChemMedChem., 2008, 3(7), 1083-1093.

doi: 10.1002/cmdc.200800060

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2007

 

            Proceedings:

Gao Y. Douguet D., Tovchigrechko A. and Vakser I.A., DOCKGROUND system of databases for protein recognition studies: Unbound structures for docking, Proteins Structure Function and Bioinformatics, 2007, Special Issue on the Critical Assessment of PRedicted Interactions 2006, 69(4), 845-851.

doi: 10.1002/prot.21714

hal-02115635

 

            Proceedings:

Gasse C., Huteau V., Douguet D., Munier-Lehmann H. and Pochet S., A New Family of Inhibitors of Mycobacterium Tuberculosis Thymidine Monophosphate Kinase, Nucleosides, Nucleotides & Nucleic Acids, 2007, 26 (8-9), 1057-1061.

doi: 10.1080/15257770701513349

HAL: pasteur-00202300v1

 

2006

 

Douguet D., Chen H.C., Tovchigrechko A. and Vakser I.A., DOCKGROUND resource for studying protein-protein interfaces, Bioinformatics, 2006, 22(21), 2612-2618.

doi: 10.1093/bioinformatics/btl447

hal-02115625

 

Drin G., Douguet D. and Scarlata S., The Pleckstrin Homology Domain of Phospholipase Cb Transmits Enzymatic Activation through Modulation of the Membrane-Domain Orientation, Biochemistry, 2006, 45(18), 5712-5724.

doi: 10.1021/bi052317n

 

2005

 

            Douguet D., Munier-Lehmann H., Labesse G. and Pochet S., LEA3D: A Computer-Aided Ligand Design for Structure-Based Drug Design, J. Med. Chem., 2005, 48, 2457-2468.

            doi: 10.1021/jm0492296

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2004

 

Book chapter:

Cohen-Gonsaud M., Catherinot V., Labesse G., Douguet D., From molecular modeling to drug design, Practical Bioinformatics, Bujnicki, Janusz M (ed), Springer-Verlag, New York, 2004; pp 35-72.

doi: 10.1007/978-3-540-74268-5_3

 

2003

 

            Proceedings:

Munier-Lehmann H., Pochet S., Dugue L., Dutruel O., Labesse G., Douget D., Design of Mycobacterium tuberculosis thymidine monophosphate kinase inhibitors. Nucleosides Nucleotides & Nucleic Acids, 2003, 22 (5-8), 801-804.

doi: 10.1002/chin.200404195

hal-02115596

 

2002

 

Labesse G., Bucurenci N., Douguet D., Sakamoto H., Landais S., Gagyi C., Gilles A.M. and Bârzu O., Comparative modelling and immunochemical reactivity of Escherichia coli UMP kinase, Biochem. Biophys. Res. Commun. , 2002, 294 (1), 173-179.

doi: 10.1016/S0006-291X(02)00450-3

hal-02115583

 

Labesse G., Douguet D., Assairi L. and Gilles A.M., Diacylglyceride kinases, sphingosine kinases and NAD kinases are distantly related to 6-phosphofructokinases, TIBS, 2002, 27 (6), 273-275.

doi: 10.1016/S0968-0004(02)02093-5

hal-02115578

 

            Proceedings:

Douguet D., Bolla J.-M., Munier-Lehmann H. and Labesse G., From sequence to structure to function: a case study, Enzyme and Microbial Technology, 2002, 30 (3), 289-294.

doi: 10.1016/S0141-0229(01)00501-4

HAL: pasteur-00167045v1

 

Pochet S., Dugue L., Douguet D., Labesse G. and Munier-Lehmann H., Nucleoside Analogs as Inhibitors of Thymidylate Kinases: Possible Therapeutical Applications, ChemBioChem, 2002, 1, 108-110.

doi: 10.1002/1439-7633(20020104)3:1

HAL: pasteur-00166196v1

           

2001

 

Douguet D. and Labesse G., Easier threading through web-based comparisons and cross validations, Bioinformatics, 2001, 17, 752-753.

doi: 10.1093/bioinformatics/17.8.752

hal-02115510

 

2000

 

Douguet D., Thoreau E. and Grassy G., LEA (Ligand by Evolutionary Algorithm): A Genetic Algorithm for the Automated Generation of Small Organic Molecules, J. Comput.-Aided  Mol. Design, 2000, 14, 449-466.

doi: 10.1023/A:1008108423895

hal-02115491

 

1999

 

Douguet D., Thoreau E. and Grassy G., A Quantitative Structure-Activity Relationships  Studies of RAR a, b, g Retinoid Agonists, Quant. Struct.-Act. Relat., 1999, 18, 107-123.

doi: 10.1002/(SICI)1521-3838(199906)18:2<107::AID-QSAR107>3.0.CO;2-3

hal-02115467

 

1996

 

Douguet D., Pellenq R., Boutin A., Fuchs A. And Nicholson D., The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite : A Grand Canonical Monte-Carlo Study, Molecular Simulation, 1996, 17, 255-288.

doi: 10.1080/08927029608024112

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