2024
Biyuzan H., Masrour M.-A., Grandmougin L., Payan F. and Douguet D SENSAAS-Flex: a joint optimization approach
for aligning 3D shapes and exploring the molecular conformation space, Bioinformatics, 2024.
doi: 10.1093/bioinformatics/btae105
2023
Pharmacological
activation of PIEZO1 in human red blood cells prevents Plasmodium falciparum
invasion, Cellular and Molecular Life
Sciences, 2023, 80:124.
doi: 10.1007/s00018-023-04773-0
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
hal-02107452, v1
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
hal-02107363
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
hal-02115400
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
hal-01397719v1
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
hal-02115431
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
hal-02115434
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
hal-02115447
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
hal-02115818
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
hal-02115813
* 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
hal-02115810
* 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
hal-02115807
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
hal-02115788
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
hal-02115775
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
hal-02115767
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
hal-00731871v1
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
hal-02115756, v1
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
hal-00731333v1
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
hal-00660261v1
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
hal-00417676v1
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
HAL: pasteur-00307723v1
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
HAL: pasteur-00316018v1
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
HAL: pasteur-00166207v1
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
hal-02115456