Florent Barbault

Publications

Article dans une revue (55)

Decoding Circular Dichroism Contributions in Chiral Hybrid Perovskites Amina Alehyane,Mariagrazia Fortino,Florent Barbault,Antonio Monari,Adriana Pietropaolo European Journal of Inorganic Chemistry, 2025, 28 (6), ⟨10.1002/ejic.202400636⟩ Article dans une revue hal-05503845v1
Experimental and Computational Study of Injectable Iron(III)/Ultrashort Peptide Hydrogels: A Candidate for Ferroptosis‐Induced Treatment of Bacterial Infections Capucine Loth,Florent Barbault,Cécile Guégan,Flora Lemaire,Christophe Contalet al. Small Science, 2025, 5 (6), pp.2400618. ⟨10.1002/smsc.202400618⟩ Article dans une revue hal-05039483v1
Interaction between Yersinia pestis Ail Outer Membrane Protein and the C-Terminal Domain of Human Vitronectin Laurine Vasseur,Florent Barbault,Antonio Monari Journal of Physical Chemistry B, 2024, 128 (16), pp.3929-3936. ⟨10.1021/acs.jpcb.4c00965⟩ Article dans une revue hal-05371508v1
In silico design of a solution-gated graphene transistor sensor for the efficient detection of guanine quadruplexes Aurianne Rainot,Luisa D’anna,Alessio Terenzi,Raphael Rouget,Stéphanie Grandemangeet al. Journal of Physical Chemistry Letters, 2024, 15 (43), pp.10881-10887. ⟨10.1021/acs.jpclett.4c02796⟩ Article dans une revue hal-04761163v1
Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA Emma Jung-Rodriguez,Florent Barbault,Emmanuelle Bignon,Antonio Monari Viruses, 2024, 16 (8), pp.1246. ⟨10.3390/v16081246⟩ Article dans une revue hal-04746925v1
Resolving the structure of guanine quadruplex in TMPRSS2 messenger RNA by circular dichroism and molecular modeling Luisa D’anna,Aurane Froux,Aurianne Rainot,Angelo Spinello,Ugo Perriconeet al. Chemistry - A European Journal, 2024, 30 (71), pp.e202403572. ⟨10.1002/chem.202403572⟩ Article dans une revue hal-04761166v1
Synthesis and preliminary anticancer evaluation of photo-responsive prodrugs of hydroxymethylene bisphosphonate alendronate Aurélie Descamps,Philippe Arnoux,Céline Frochot,Florent Barbault,Julia Deschampet al. European Journal of Medicinal Chemistry, 2024, 269, ⟨10.1016/j.ejmech.2024.116307⟩ Article dans une revue hal-05591800v1
Salt-induced Fmoc-tripeptide Supramolecular Hydrogels: A Combined Experimental and Computational Study of the Selfassembly Miryam Criado-Gonzalez,Mario Iván Peñas,Florent Barbault,Alejandro J Müller,Fouzia Boulmedaiset al. Nanoscale, In press, ⟨10.1039/D4NR00335G⟩ Article dans une revue hal-04564018v1
The antibacterial properties of branched peptides based on poly(l-arginine): In vitro antibacterial evaluation and molecular dynamic simulations Lebaudy Eloïse,Lauriane Petit,Yves Nominé,Béatrice Heurtault,Inès Ben Hadj Kaddouret al. European Journal of Medicinal Chemistry, 2024, 268, pp.116224. ⟨10.1016/j.ejmech.2024.116224⟩ Article dans une revue hal-04976730v1
Mechanism of the covalent inhibition of human transmembrane protease serine 2 as an original antiviral strategy Angelo Spinello,Luisa D’anna,Emmanuelle Bignon,Tom Miclot,Stéphanie Grandemangeet al. Journal of Physical Chemistry B, 2023, 127 (28), pp.6287-6295. ⟨10.1021/acs.jpcb.3c02910⟩ Article dans une revue hal-04258941v1
DockSurf: A Molecular Modeling Software for the Prediction of Protein/Surface Adhesion Florent Barbault,Eric Brémond,Julien Rey,Pierre Tufféry,François Maurel Journal of Chemical Information and Modeling, 2023, 63 (16), pp.5220-5231. ⟨10.1021/acs.jcim.3c00569⟩ Article dans une revue hal-05591797v1
Between two walls: Modeling the adsorption behavior of β-glucosidase A on bare and SAM-functionalised gold surfaces Nicolas Bourassin,Florent Barbault,Marc Baaden,Sophie Sacquin-Mora Langmuir, 2022, 38 (4), pp.1313-1323. ⟨10.1021/acs.langmuir.1c01774⟩ Article dans une revue hal-03294641v1
Theobroma cacao improves bone growth by modulating defective ciliogenesis in a mouse model of achondroplasia Ludovic Martin,Nabil Kaci,Catherine Benoist-Lasselin,Marine Mondoloni,Suzanne Decaudaveineet al. Bone Research, 2022, 10 (1), pp.8. ⟨10.1038/s41413-021-00177-7⟩ Article dans une revue hal-03667757v1
Synthesis and preliminary anticancer evaluation of new triazole bisphosphonate-based isoprenoid biosynthesis inhibitors Thibaut Legigan,Evelyne Migianu-Griffoni,Mohamed Abdenour Redouane,Aurélie Descamps,Julia Deschampet al. European Journal of Medicinal Chemistry, 2021, 214, pp.113241. ⟨10.1016/j.ejmech.2021.113241⟩ Article dans une revue hal-03851484v1
Computational Studies of a DNA-Based Aptasensor: toward Theory-Driven Transduction Improvement Mario Araujo-Rocha,Benoît Piro,Vincent Noël,Florent Barbault Journal of Physical Chemistry B, 2021, 125 (33), pp.9499-9506. ⟨10.1021/acs.jpcb.1c05341⟩ Article dans une revue hal-05591785v1
Grafting TRAIL through Either Amino or Carboxylic Groups onto Maghemite Nanoparticles: Influence on Pro-Apoptotic Efficiency Hanene Belkahla,Andrei Alexandru Constantinescu,Tijani Gharbi,Florent Barbault,Alexandre Chevillot-Biraudet al. Nanomaterials, 2021, 11 (2), pp.502. ⟨10.3390/nano11020502⟩ Article dans une revue inserm-03516748v1
Theoretical and Experimental Elucidation of the Adsorption Process of a Bioinspired Peptide on Mineral Surfaces J. Touzeau,M. Seydou,F. Maurel,L. Tallet,A. Mutschleret al. Langmuir, 2021, 37 (38), pp.11374-11385. ⟨10.1021/acs.langmuir.1c01994⟩ Article dans une revue hal-05591788v1
First dual binder of microRNA-146a and monomeric tau: a novel approach for multitargeted therapeutics for neurodegenerative diseases Moustafa Gabr,Florent Barbault Chemical Communications, 2020, 56 (67), pp.9695-9698. ⟨10.1039/D0CC04249H⟩ Article dans une revue hal-05591783v1
Computational approach and electrochemical measurements for protein detection with MIP-based sensor Zouhour Mazouz,Meriem Mokni,Najla Fourati,Chouki Zerrouki,Florent Barbaultet al. Biosensors and Bioelectronics, 2020, 151, pp.111978. ⟨10.1016/j.bios.2019.111978⟩ Article dans une revue hal-02464043v1
In Vitro interaction between yeast frataxin and superoxide dismutases: Influence of mitochondrial metals Thi Hong Lien Han,Jean-Michel Camadro,Florent Barbault,Renata Santos,Jean-Michel El Hage Chahineet al. Biochimica et Biophysica Acta (BBA) - General Subjects, 2019, 1863 (5), pp.883-892. ⟨10.1016/j.bbagen.2019.02.011⟩ Article dans une revue hal-02328345v1
Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption Jeremy Touzeau,Florent Barbault,François Maurel,Mahamadou Seydou Chemical Physics Letters, 2018, 713, pp.172-179. ⟨10.1016/j.cplett.2018.10.046⟩ Article dans une revue istex hal-05589197v1
Triggering the Electrolyte-Gated Organic Field-Effect Transistor output characteristics through gate functionalization using diazonium chemistry: Application to biodetection of 2,4-dichlorophenoxyacetic acid T.T.K. Nguyen,T.N. Nguyen,G. Anquetin,S. Reisberg,V. Noëlet al. Biosensors and Bioelectronics, 2018, 113, pp.32-38. ⟨10.1016/j.bios.2018.04.051⟩ Article dans une revue istex hal-05589196v1
Molecular Dynamics Simulation of a RNA Aptasensor Min Ruan,Mahamadou Seydou,Vincent Noel,Benoit Piro,François Maurelet al. Journal of Physical Chemistry B, 2017, 121 (16), pp.4071-4080. ⟨10.1021/acs.jpcb.6b12544⟩ Article dans une revue hal-05589194v1
Tyrosine kinase inhibitor NVP-BGJ398 functionally improves FGFR3-related dwarfism in mouse model Davide Komla-Ebri,Emilie Dambroise,Ina Kramer,Catherine Benoist-Lasselin,Nabil Kaciet al. Journal of Clinical Investigation, 2016, 126 (5), pp.1871-1884. ⟨10.1172/JCI83926⟩ Article dans une revue hal-05573981v1
Striking HIV-1 Entry by Targeting HIV-1 gp41. But, Where Should We Target? Cátia Teixeira,Florent Barbault,Thierry Couesnon,José R B Gomes,Paula Gomeset al. PLoS ONE, 2016, 11 (1), pp.e0146743. ⟨10.1371/journal.pone.0146743⟩ Article dans une revue hal-05589190v1
Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3) Yan Li,Michel Delamar,Patricia Busca,Guillaume Prestat,Laurent Le Correet al. Journal of Computer-Aided Molecular Design, 2015, 29 (7), pp.619-641. ⟨10.1007/s10822-015-9841-8⟩ Article dans une revue hal-05573984v1
Indole alkaloids from the Marquesan plant Rauvolfia nukuhivensis and their effects on ion channels Nicolas Martin,Sara Ferreiro,Florent Barbault,Mael Nicolas,Gaël Lecellieret al. Phytochemistry, 2015, pp.84-95. ⟨10.1016/j.phytochem.2014.10.026⟩ Article dans une revue istex hal-01100945v1
A novel small-molecule inhibitor of HIV-1 entry Erik de Leeuw,Alonso Heredia,Olga Latinovic,Florent Barbault Drug Design, Development and Therapy, 2015, 109, pp.5469. ⟨10.2147/DDDT.S89338⟩ Article dans une revue hal-05589182v1
Simulation with quantum mechanics/molecular mechanics for drug discovery Florent Barbault,François Maurel Expert Opinion on Drug Discovery, 2015, 10 (10), pp.1047-1057. ⟨10.1517/17460441.2015.1076389⟩ Article dans une revue hal-05589185v1
Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process Yan Li,Florent Barbault,Michel Delamar,Ruisheng Zhang,Rongjing Hu Journal of Molecular Modeling, 2013, 19 (4), pp.1651-1666. ⟨10.1007/s00894-012-1726-3⟩ Article dans une revue hal-05589097v1
A new series of Cs+, K+ and Na+ chelators: Synthesis, kinetics, thermodynamics and modeling Alexandre Korovitch,Antoine Le Roux,Florent Barbault,Miryana Hémadi,Nguyêt-Thanh Ha-Duonget al. Inorganica Chimica Acta, 2013, 394, pp.45-57. ⟨10.1016/j.ica.2012.08.009⟩ Article dans une revue istex hal-05027274v1
Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication? Cátia Teixeira,Nawal Serradji,Souad Amroune,Karen Storck,Christine Rogez-Kreuzet al. Journal of Molecular Graphics and Modelling, 2013, 44, pp.91-103. ⟨10.1016/j.jmgm.2013.05.003⟩ Article dans une revue istex hal-05589098v1
Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors Florent Barbault,François Maurel Journal of Computational Chemistry, 2012, 33 (6), pp.607-616. ⟨10.1002/jcc.21983⟩ Article dans une revue istex hal-05589096v1
A novel tyrosine kinase inhibitor restores chondrocyte differentiation and promotes bone growth in a gain-of-function Fgfr3 mouse model Aurelie Jonquoy,Emilie Mugniery,Catherine Benoist-Lasselin,Nabil Kaci,Laurent Le Correet al. Human Molecular Genetics, 2012, 21 (4), pp.841-851. ⟨10.1093/hmg/ddr514⟩ Article dans une revue hal-01019795v1
Synthesis of purin-2-yl and purin-6-yl-aminoglucitols as C-nucleosidic ATP mimics and biological evaluation as FGFR3 inhibitors Lotfi Tak-Tak,Florent Barbault,François Maurel,Patricia Busca,Yves Le Merrer European Journal of Medicinal Chemistry, 2011, 46 (4), pp.1254-1262. ⟨10.1016/j.ejmech.2011.01.048⟩ Article dans une revue istex hal-05573988v1
Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: Brief overview one quarter of a century past the approval of zidovudine, the first anti-retroviral drug Cátia Teixeira,José R.B. Gomes,Paula Gomes,François Maurel,Florent Barbault European Journal of Medicinal Chemistry, 2011, 46 (4), pp.979-992. ⟨10.1016/j.ejmech.2011.01.046⟩ Article dans une revue hal-05589093v1
Diarylaniline Derivatives as a Distinct Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors Bingjie Qin,Xingkai Jiang,Hong Lu,Xingtao Tian,Florent Barbaultet al. Journal of Medicinal Chemistry, 2010, 53 (13), pp.4906-4916. ⟨10.1021/jm1002952⟩ Article dans une revue hal-05589089v1
Design of novel RNA ligands that bind stem–bulge HIV-1 TAR RNA Maria Duca,Vincent Malnuit,Florent Barbault,Rachid Benhida Chemical Communications, 2010, 46 (33), pp.6162. ⟨10.1039/c0cc00645a⟩ Article dans une revue istex hal-05589090v1
Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors Rongjing Hu,Florent Barbault,Michel Delamar,Ruisheng Zhang Bioorganic and Medicinal Chemistry, 2009, 17 (6), pp.2400-2409. ⟨10.1016/j.bmc.2009.02.003⟩ Article dans une revue hal-05589085v1
Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors C. Teixeira,N. Serradji,F. Maurel,Florent Barbault European Journal of Medicinal Chemistry, 2009, 44 (9), pp.3524-3532. ⟨10.1016/j.ejmech.2009.03.028⟩ Article dans une revue istex hal-05589086v1
Rational design of peptides active against the Gram positive bacteria Staphylococcus aureus Céline Landon,Florent Barbault,Michèle Legrain,Marc Guenneugues,Françoise Vovelle Proteins - Structure, Function and Bioinformatics, 2008, 72 (1), pp.229-239. ⟨10.1002/prot.21912⟩ Article dans une revue istex hal-00283359v1
2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors Joseph Rebehmed,Florent Barbault,Cátia Teixeira,François Maurel Journal of Computer-Aided Molecular Design, 2008, 22 (11), pp.831-841. ⟨10.1007/s10822-008-9217-4⟩ Article dans une revue istex hal-05589078v1
Functional and Structural Characterization of the Arylamine N-Acetyltransferase from the Opportunistic Pathogen Nocardia farcinica Marta Martins,Benjamin Pluvinage,Inès Li de la Sierra-Gallay,Florent Barbault,Julien Dairouet al. Journal of Molecular Biology, 2008, 383 (3), pp.549-560. ⟨10.1016/j.jmb.2008.08.035⟩ Article dans une revue istex hal-05589084v1
Design, Synthesis, and Biological Evaluation of N -Carboxyphenylpyrrole Derivatives as Potent HIV Fusion Inhibitors Targeting gp41 Kun Liu,Hong Lu,Ling Hou,Zhi Qi,Cátia Teixeiraet al. Journal of Medicinal Chemistry, 2008, 51 (24), pp.7843-7854. ⟨10.1021/jm800869t⟩ Article dans une revue hal-05589082v1
Cellular interaction through LewisX cluster: theoretical studies Yun Luo,Florent Barbault,Chafika Gourmala,Yongmin Zhang,François Maurelet al. Journal of Molecular Modeling, 2008, 14 (10), pp.901-910. ⟨10.1007/s00894-008-0325-9⟩ Article dans une revue istex hal-05589080v1
Molecular modeling studies of N-substituted pyrrole derivatives—Potential HIV-1 gp41 inhibitors Cátia Teixeira,Florent Barbault,Joseph Rebehmed,Kun Liu,Lan Xieet al. Bioorganic and Medicinal Chemistry, 2008, 16 (6), pp.3039-3048. ⟨10.1016/j.bmc.2007.12.034⟩ Article dans une revue istex hal-05589077v1
Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site Florent Barbault,Bo Ren,Joseph Rebehmed,Catia Teixeira,Yun Luoet al. European Journal of Medicinal Chemistry, 2008, 43 (8), pp.1648-1656. ⟨10.1016/j.ejmech.2007.10.022⟩ Article dans une revue istex hal-05588993v1
Nonlinear SVM Approaches to QSPR/QSAR Studies and Drug Design Jean-Pierre Doucet,Florent Barbault,Hairong Xia,Annick Panaye,Botao Fan Current Computer Aided-Drug Design, 2007, 3 (4), pp.263-289. ⟨10.2174/157340907782799372⟩ Article dans une revue hal-05587592v1
Elucidation of the LewisX–LewisX carbohydrate interaction with molecular dynamics simulations: A glycosynapse model Chafika Gourmala,Yun Luo,Florent Barbault,Yongmin Zhang,Saïd Ghalemet al. Journal of Molecular Structure: THEOCHEM, 2007, 821 (1-3), pp.22-29. ⟨10.1016/j.theochem.2007.06.027⟩ Article dans une revue istex hal-05587598v1
Total synthesis of 4d-deoxy Lewisx pentasaccharide Yun Luo,Dengxiang Dong,Florent Barbault,Botao Fan,Yongzhou Huet al. Comptes Rendus. Chimie, 2007, 11, pp.29 - 37. ⟨10.1016/j.crci.2007.03.009⟩ Article dans une revue hal-05588990v1
First synthesis of two deoxy Lewisx pentaosyl glycosphingolipids Yun Luo,Chafika Gourmala,Dengxiang Dong,Florent Barbault,Botao Fanet al. Glycoconjugate Journal, 2007, 25 (4), pp.335-344. ⟨10.1007/s10719-007-9077-5⟩ Article dans une revue istex hal-05589075v1
Elucidation of chiral recognition processes of macrocyclic antibiotic vancomycin C. Bauvais,Florent Barbault,Y. Zhu,M. Petitjean,B. Fan SAR and QSAR in Environmental Research, 2006, 17 (3), pp.253-264. ⟨10.1080/10659360600787783⟩ Article dans une revue hal-05587580v1
Parametrization of a specific free energy function for automated docking against RNA targets using neural networks Florent Barbault,Liangren Zhang,Lihe Zhang,Bo Tao Fan Chemometrics and Intelligent Laboratory Systems, 2006, 82 (1-2), pp.269-275. ⟨10.1016/j.chemolab.2005.05.014⟩ Article dans une revue istex hal-05587573v1
NMR Solution Structure of the Archaebacterial Chromosomal Protein MC1 Reveals a New Protein Fold ‡ Françoise Paquet,Françoise Culard,Florent Barbault,Jean-Claude Maurizot,Gérard Lancelot Biochemistry, 2004, 43 (47), pp.14971-14978. ⟨10.1021/bi048382z⟩ Article dans une revue istex hal-02121481v1
Le calcul du déplacement chimique, un outil de validation des structures d'acides nucléiques Florent Barbault,Gérard Lancelot Comptes rendus hebdomadaires des séances de l’Académie des sciences. Série B, Sciences physiques, 2001 Article dans une revue hal-02164980v1

Poster de conférence (2)

Between two walls: Modeling the adsorption behavior of redox enzymes on bare and SAM-functionalised gold surfaces Sophie Sacquin-Mora,Nicolas Bourassin,Florent Barbault,Marc Baaden XXIIIème congrès du GGMM, May 2023, Toulouse, France Poster de conférence hal-04112652v1
Modeling enzymes interacting with functionalized surfaces: lessons from multiscale modeling approaches Nicolas Bourassin,Florent Barbault,Marc Baaden,Sophie Sacquin-Mora 66th Biophysical Society Annual Meeting, 2022, San Francisco, United States. Biophysical Journal, 121 (3), pp.135a, 2022, ⟨10.1016/j.bpj.2021.11.2057⟩ Poster de conférence hal-05591793v1