2024
TAARs response to amine are largely affected by sequence variants.
J. Pacalon, C. Belloir, S. Fiorucci, L. Briand, J. Topin. 2024, in prep.
A Comprehensive Analysis of Olfactory Receptor Deorphanization.
M. Lalis, M. Hladiš, S. Abi Khalil, C. Deroo, C. Marin, M. Bensafi, N. Baldovini, L. Briand, S. Fiorucci, J. Topin. 2024, submitted.
Combining machine learning and electrophysiology for insect odorant receptor studies.
A. Comte, S. Fiorucci, E. Jacquin-Joly, 2024, submitted.
Citronellol biosynthesis in Pelargonium species: a new PRISE enzyme subfamily that controls the biosynthetic pathway and the ratio of both (S)- and (R)-citronellol isomers.
L. Martinelli, C. Bihanic, A. Bony, F. Gros, C. Conart, S. Fiorucci, H. Casabianca, F. Schiets, G. Cheitera, B. Blerot, S. Baudino, F. Jullien, D. Saint-Marcoux. Plant physiol. 2024, 14, 1006-1023. DOI (Selected as Cover image).
M2OR: A Database of Olfactory Receptor-Odorant Pairs for Understanding the Molecular Mechanisms of Olfaction.
M. Lalis, M. Hladiš, S. Abi Khalil, S. Fiorucci, L. Briand, J. Topin. Nucleic. Acids. Res. 2024, 52, D1370–D1379. DOI
2023
Elucidating the structural basis for ligand binding and translocation in conserved insect odorant receptor co-receptors.
J. Pacalon, G. Audic, J. Magnat, M. Philip, J. Golebiowski, C.J. Moreau, J. Topin, Nat. Commun. 2023, 14, 8182. DOI
Uncovering the chiral bias of meteoritic isovaline through asymmetric photochemistry.
J. Bocková, N. C. Jones, J. Topin, S. V. Hoffmann, & C. Meinert. Nat. Commun. 2023, 14(1), 338. DOI
Matching receptor to odorant with protein language and graph neural networks
M. Hladiš, M. Lalis, S. Fiorucci, J. Topin. International Conference on Learning Representation (ICLR), 2023, DOI (OpenReview, Presentation)
2022
Extracellular loop 2 of G protein–coupled olfactory receptors is critical for odorant recognition.
Y. Yu, Z. Ma, J. Pacalon, L. Xu, W. Li, C. Belloir, J. Topin, L. Briand, J. Golebiowski, X. Cong, J. Biol. Chem. 2022, 298(9), 102331. DOI
Amino acid gas phase circular dichroism and implications for the origin of biomolecular asymmetry.
C. Meinert, A. D. Garcia, J. Topin, N. C. Jones, M. Diekmann, R. Berger, L. Nahon, S. V. Hoffmann, U. J. Meierhenrich, Nat. Commun. 2022, 13, 502. DOI
Chiroptical activity of gas-phase propylene oxide predicting the handedness of interstellar circular polarization in the presolar nebula.
A. D. Garcia, J. Topin, J. Bocková, N. C. Jones, S. V. Hoffmann, & C. Meinert, Sci. Adv. 2022, 8(46), eadd4614. DOI
The Third Extracellular Loop of Mammalian Odorant Receptors Is Involved in Ligand Binding.
T. Shim, J. Pacalon, W. C. Kim, X. Cong, J. Topin, J. Golebiowski, , & C. Moon, Int. J. Mol. Sci. 2022, 23(20), 12501. DOI
Ligand Binding Properties of Odorant-Binding Protein OBP5 from Mus musculus.
L. Moitrier, C. Belloir, M. Lalis, Y. Hou, J. Topin, L. Briand, Biol. 2022, 12, 2. DOI
Exploring Dihydroflavonol-4-reductase reactivity and selectivity by QM/MM-MD simulations.
J. Diharce, E. Bignon, S. Fiorucci, S. Antonczak, ChemBioChem 2022, 23(3), e202100553. DOI
2021
Functional Molecular Switches of Mammalian G Protein-Coupled Bitter-Taste Receptors.
J. Topin, C. Bouysset, J. Pacalon, Y. Kim, M. Rhyu, S. Fiorucci, J. Golebiowski. Cell. Mol. Life Sci. 2021, 78, 7605-7615 DOI
ProLIF: a library to encode molecular interactions as fingerprints.
C. Bouysset, S. Fiorucci, J. Cheminfo. 2021, 13:72 DOI. (supp data on GitHub)
Reverse chemical ecology in a moth: machine learning on odorant receptors identifies new behaviorally active agonists.
G. Caballero-Vidal, C. Bouysset, J. Gévar, H. Mbouzid, C. Nara, J. Delaroche, J. Golebiowski, N. Montagné, S. Fiorucci, E. Jacquin-Joly. Cell. Mol. Life Sci. 2021, 78, 6593-6603 DOI
2020
Non‐Carbohydrate Glycomimetics as Inhibitors of Calcium(II)‐binding Lectins.
S. Kuhaudomlarp, E. Siebs, E. Shanina, J. Topin, I. Joachim, P. da Silva Figueiredo Celestino Gomes, A. Varrot, D. Rognan, C. Rademacher, A. Imberty, A. Titz, Angew. Chem. Int. Ed. 2020, 60, 8104-8114. DOI
Bitter-Taste Receptors: From Sequence to Structure.
C. Bouysset, J. Topin, S. Antonczak, M. Rhyu, J. Golebiowski, S. Fiorucci. Chem. Senses 2020, 45(8), 800. DOI
More than just smell – COVID-19 is associated with severe impairment of smell, taste, and chemesthesis.
Global Consortium of Chemosensory Research*. Chem. Senses 2020, 45(7), 609-622. DOI
* From the Chemosim Lab : C. Bouysset, S. Fiorucci & J. Golebiowski.
Novel scaffold of natural compound eliciting sweet taste revealed by machine learning.
C. Bouysset, C. Belloir, S. Antonczak, L. Briand, S. Fiorucci. Food Chem. 2020, 324, 126864. DOI
Molecular insights into the structure-function relationships of bitter taste receptors.
C. Bouysset, J. Topin, Y. Wang, P. Jiang, J. Golebiowski, S. Antonczak, S. Fiorucci. 2020, Chem. Senses 45, 153. DOI
Machine learning decodes chemical features to identify novel agonists of a moth odorant receptor.
G. Caballero-Vidal, C. Bouysset, H. Grunig, S. Fiorucci, N. Montagné, J. Golebiowski, E. Jacquin-Joly. Sci. Rep. 2020, 1655. DOI
2019
Mammalian class I odorant receptors exhibit a conserved vestibular binding pocket.
C. Bushdid, C. A. de March, J. Topin, M. Do, H. Matsunami, J. Golebiowski, Cell. Mol. Life Sci. 2019, 76, 995-1004. DOI
Allosteric modulation mechanism of the mGluR5 transmembrane domain.
X. Cong, J.B. Chéron, J. Golebiowski, S. Antonczak, S. Fiorucci. J. Chem. Info. Model. 2019, 59(6), 2871-2878. DOI
Metal ions activate the human TAS2R7 receptor.
Y. Wang, A.L. Soohoo, W. Lei, R.F. Margolskee, C. Bouysset, J. Golebiowski, H. Zhao, S. Fiorucci, P. Jiang. Chem. Senses 2019, 44, 339-347. DOI
Zebrafish Olfactory Receptors ORAs Differentially Detect Bile Acids and Bile Salts.
X. Cong, Q. Zheng, W. Ren, J.B. Cheron, S. Fiorucci, T. Wen, C. Zhang, H. Yu, J. Golebiowski, Y. Yu., J. Biol. Chem. 2019, 294, 6762-6771. DOI
Conserved residues control the T1R3-specific allosteric signaling pathway of the mammalian sweet taste receptor.
J.B. Chéron, A. Soohoo, Y. Wang, J. Golebiowski, S. Antonczak, P. Jiang, S. Fiorucci. Chem. Senses 2019, 44, 303-310. DOI
Natural Sweeteners.
J.B. Chéron, A. Marchal, S. Fiorucci. In: Melton, L., Shahidi, F., Varelis, P. (Eds.), Encyclopedia of Food Chemistry vol. 1, 2019, pp. 189–195. Elsevier. DOI
L’asymétrie de la vie : une origine extraterrestre ?
A. Garcia, J. Topin, R. Pepino, U. Meierhenrich, L. le Sergeant d’Hendecourt, C. Meinert, L’Act. Chim. 2019, 234. DOI
2018
Odorant Receptor 7D4 Activation Dynamics.
C. A. de March, J. Topin, E. Bruguera, G. Novikov, K. Ikegami, H. Matsunami, J. Golebiowski, Angew. Chem. Int. Ed. 2018, 57(17), 4554-4558. DOI
Activation dynamics of the neurotensin G-protein coupled receptor 1.
X. Cong, S. Fiorucci, J. Golebiowski. J. Chem. Theory Comput. 2018, 14(8), 4467-4473. DOI
Agonists of G Protein-Coupled Odorant Receptors are Predicted from Chemical Features.
C. Bushdid, C.A. de March, S. Fiorucci, H. Matsunami, J. Golebiowski. J. Phys. Chem. Lett. 2018, 9, 2235-2240. DOI
2017
Quand l’atmosphère sent le soufre. Perception des pollutions odorantes.
C. Bushdid, J. Topin et J. Golebiowsk, Pollution atmosphérique 2017, 234, 7
Class A GPCRs: Structure, function, modeling and structure-based ligand design.
X. Cong, J. Topin, J. Golebiowski. Curr. Pharm. Des. 2017, 23, 4390-4409. DOI
Design, Synthesis and Photophysical Studies of Styryl-Based Push-Pull Fluorophores with Remarkable Solvatofluorochromism.
M. Safir Filho, S. Fiorucci, A. Martin, R. Benhida. New J. Chem. 2017, 41, 13760-13772. DOI
Update of the ATTRACT force field for the prediction of protein-protein binding affinity.
J.B. Chéron, M. Zacharias, S. Antonczak, S. Fiorucci. J. Comput. Chem. 2017, 38(21), 1887-1890. DOI / WEBSERVER
Ces molécules qui éveillent nos papilles.
J.B. Chéron, J. Golebiowski, S. Antonczak, L. Briand, S. Fiorucci. L’Act. Chim. 2017, 416, 11-18. Abstract
Bornyldiphosphate synthase from Lavandula angustifolia: a major monoterpene synthase involved in essential oil quality.
Y. Despinasse, S. Fiorucci, S. Antonczak, S. Moja, A. Bony, F. Nicolè, S. Baudino, J.L. Magnard, F. Julien. Phytochem. 2017, 137, 24-33. DOI
The anatomy of mammalian sweet taste receptors.
J.B. Chéron, J. Golebiowski, S. Antonczak, S. Fiorucci. Proteins, 2017, 85, 332-341. DOI
Sweetness prediction of natural compounds.
J.B. Chéron, I. Casciuc, J. Golebiowski, S. Antonczak, S. Fiorucci. Food Chem. 2017, 221, 1421-1425. DOI
2016
The anatomy of mammalian sweet taste receptors.
J.B. Chéron, J. Golebiowski, S. Antonczak, S. Fiorucci. Chem. Senses 2016, 41(9), E179-E179. DOI
The Hidden Conformation of Lewis x, a Human Histo-Blood Group Antigen, Is a Determinant for Recognition by Pathogen Lectins.
J. Topin, M. Lelimousin, J. Arnaud, A. Audfray, S. Pérez S, A. Varrot, A. Imberty. ACS Chemical Biology, 2016, 11, 2011–2020, DOI
Structure-function of Odorant and Sweet-taste Receptors Based on Molecular Modeling.
J. Golebiowski, J.B. Chéron, C.A. De March, S. Fiorucci, S. Antonczak, Chem. Senses 2016, 41(7), E83-E83. DOI
Fine-tuning of microsolvation and hydrogen bond interaction regulates channeling in the course of flavonoid biosynthesis.
J. Diharce, J. Golebiowski, S. Fiorucci, S. Antonczak. Phys. Chem. Chem. Phys. 2016, 18, 10337-10345. DOI
Ces molécules qui nous mènent par le bout du nez. Le codage moléculaire de la perception des odeurs.
C. Bushdid, C.A. de March, J. Topin, S. Antonczak, M. Bensafi, J. Golebiowski, L’Act. Chim. 2016, 406, 21-30. DOI
2015
Deciphering the odorant binding protein-olfactory receptor interactions.
M. Viano, S.K. Kim, W.A. Goddard III, C.A. de March, J. Golebiowski, S. Fiorucci. Chem. Senses 2015, 40, 242. DOI
2014
Discrimination between Olfactory Receptor agonists and non-agonists.
J. Topin, C. A. de March, L. Charlier, C. Ronin, S. Antonczak, J. Golebiowski, Chem. Eur. J. 2014, 20, 10227-10230 DOI
Novel LecA Ligand Identified from Glycan Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa.
A. Novoa, T. Eierhoff, J. Topin, A. Varrot, S. Barluenga, A. Imberty, W. Römer, N. Winssinger, Angew. Chem. Int. Ed. 2014, 53, 8885-8889. DOI
N. Le Breton, M. Martinho, K. Kabytaev, J. Topin, D. Blocquel, S. Longhi, A. Rockenbauer, J. Golebiowski, B. Guigliarelli, S. R. A. Marque & V. Belle, Diversification of EPR signatures in site directed spin labeling using a β-phosphorylated nitroxide. Phys. Chem. Chem. Phys. 2014, 16, 4202-4209. DOI
Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges.
I. Kufareva, V. Katritch, Participants of GPCR Dock 2013#,R.C. Stevens, R. Abagyan. Structure 2014, 22, 1120-1139. DOI
#among them: UNICE group involving C.A. De March, J. Diharce, S. Antonczak, J. Golebiowski, S. Fiorucci
Chap. 20: Computational antigenic epitope prediction by calculating electrostatic desolvation penalties of protein surface.
S. Fiorucci, M. Zacharias. in Immunoinformatics, R.K. De, N. Tomar, Springer (2014) p.365-374 Contents / DOI
O2 migration rates in [NiFe]hydrogenases. A joint approach combining free-energy calculations and kinetics modeling.
J. Topin, J. Diharce, S. Fiorucci, S. Antonczak, J. Golebiowski. J. Phys. Chem. B 2014, 118, 676-681. DOI
Isolation and functional characterization of a t-cadinol synthase, a new sesquiterpene synthase from Lavandula angustifolia.
F. Julien, S. Moja, A. Bony, S. Legrand, C. Petit, T. Benabdelkader, K. Poirot, S. Fiorucci, Y. Guitton, F. Nicole, S. Baudino, J.L.Magnard. Plant Mol. Biol. 2014, 84, 227-241. DOI (selected as Cover image)
2013
Deciphering the glycan preference of bacterial lectins by glycan array and molecular docking with validation by microcalorimetry and crystallography.
J. Topin, J. Arnaud, A. Sarkar, A. Audfray, E. Gillon, D. Smith, S. Pérez, H. Jamet, A. Varrot, A. Imberty & A. Thomas, PLoS One 2013, 8(8): e71149 DOI
In vivo characterization of dynein-driven nanovectors using Drosophila oocytes.
N. Parassol, C. Bienvenu, C. Boglio, S. Fiorucci, D. Cerezo, X.M. Yu, G. Godeau, J. Greiner, P. Vierling, S. Noselli, C. Di Giorgio, V. Van de Bor. PloS One 2013, 8, e82908 DOI
Chap. 4: Molecular modeling of odorant/olfactory receptor complexes.
L. Charlier, J. Topin, C. De March, P.C. Lai, C. J. Crasto, J. Golebiowski, in Olfactory receptors: methods and protocols, methods in molecular biology (2013) vol. 1003 DOI.
Chap. 96: Molecular features underlying the chemoreception of odorant binding proteins and olfactory receptors. Insights from molecular modeling and biophysical data.
J. Golebiowski, L. Charlier, J. Topin, S. Fiorucci, S. Antonczak in Flavour Sciences V. Ferreira, R. Lopez, Academic Press (2013) p.519-523 Contents
2012
Molecular features underlying broadly tuned olfactory receptors chemoreception. Human OR1G1 as a test case.
L. Charlier, J. Topin, C. Ronin, S.K. Kim, W.A. Goddard III, R. Efremov, J. Golebiowski, Cell. Mol. Life Sci. 2012, 69, 4205-4213 DOI
Kinetics and thermodynamics of gas diffusion in a NiFe hydrogenase.
J. Topin, M. Rousset, S. Antonczak, J. Golebiowski, Proteins 2012, 80, 677-682 DOI.
Interaction between odorants and proteins involved in the perception of smell. The case of Odorant-Binding Proteins probed by molecular modeling and biophysical data.
J. Golebiowski, J. Topin, L. Charlier, L. Briand, Flavour Frag. J. 2012, 27, 445-453 DOI
Chap.15 : ATTRACT and PTools: Open sources programs for protein-protein docking.
S. Schneider, A. Saladin, S. Fiorucci, C. Préviost, M. Zacharias. in Computational Drug Discovery and Design R. Baron, Springer (2012) p.221-232 Contents / DOI
2011
Molecular features underlying the perception of astringency as probed by molecular modeling.
J. Golebiowski, S. Fiorucci, M. Adrian-Scotto, J. Fernandez-Carmona, S. Antonczak, Mol. inf. 2011, 30, 410-414. DOI
2010
Exploiting antigenic diversity for vaccines design: the Chlamydia ArtJ paradigm.
M. Soriani, P. Petit, R. Grifantini, R. Petracca, G. Gancitano, E. Frigimelica, F. Nardelli, C. Garcia, S. Spinelli, G. Scarabelli, S. Fiorucci, R. Affentranger, M. Ferrer-Navarro, M. Zacharias, G. Colombo, L. Vuillard, X. Daura and G. Grandi, J. Biol. Chem. 2010, 285, 30126-30138 DOI
Binding site prediction and improved scoring during flexible protein-protein docking with ATTRACT.
S. Fiorucci, M. Zacharias, Proteins 2010, 78(15), 3131-3139 DOI
Prediction of protein-protein interaction sites using electrostatic desolvation profile.
S. Fiorucci, M. Zacharias, Biophys. J. 2010, 98(9), 1921-1930 DOI
Chap.11: Prediction/calculation of protein-protein binding affinities and mutation effect.
S. Fiorucci, S. Antonczak, J. Golebiowski. in Protein-protein complexes: Analysis, modeling and drug design, M. Zacharias, Wolrd Scientific (2010) p.295-317 Contents / DOI
2009
PTools: an opensource molecular docking library.
A. Saladin, S. Fiorucci, P. Poulain, C. Prevost, M. Zacharias. BMC Struct. Biol. 2009, 9, 27 DOI
Theoretical Investigations of the Role Played by Quercetinase Enzymes upon Flavonoids Oxygenolysis Mechanism.
S. Antonczak, S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, Phys. Chem. Chem. Phys. 2009, 11, 1491-1501. DOI
2008
Enzymatic Mechanisms involving Flavonoïds: a Theoretical Point of View.
S. Antonczak, S. Fiorucci, J. Golebiowski, D. Cabrol-Bass. Proceedings of the XXIV International Congress on Polyphenol Salamanques (Espagne), 8-11 Juillet 2008.
Molecular simulations enlighten the binding mode of quercetin to lipoxygenase-3.
S. Fiorucci, J. Golebiowski, S. Antonczak, D. Cabrol-Bass. Proteins 2008, 73, 290-298. DOI
2007
Binding free energy predictions in strongly hydrophobic biomolecular systems.
L. Charlier, C. Nespoulous, S. Fiorucci, S. Antonczak, J. Golebiowski. Phys. Chem. Chem. Phys. 2007, 9, 5761-5771. DOI
Mechanistic events underlying Odorant Binding Protein chemoreception.
J. Golebiowski, S. Antonczak, S. Fiorucci, D. Cabrol-Bass. Proteins 2007, 67, 448-458. DOI
DFT Study of quercetin activated forms involved in antioxidant and prooxidant biological processes.
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. J. Agr. Food Chem. 2007, 55(3), 903-911. DOI
Molecular Simulations bring new insights into Flavonoid/Quercetinase Interaction Modes.
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. Proteins 2007, 67(4), 961-970. DOI
2006
Molecular simulation reveal a new entry site in Quercetin 2,3-Dioxygenase. A pathway for Dioxygen?
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. Proteins 2006, 64, 845-850. DOI
2004
Oxygenolysis of flavonoid compounds. DFT description of the mechanism for the quercetin case.
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. Chemphyschem 2004, 5, 1726-1733. DOI