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41 results on '"Fiorucci, Sébastien"'

1. Trace amine associated receptors (TAARs) response to amines are largely affected by sequences variants

Author

Pacalon, Jody, Belloir, Christine, Fiorucci, Sébastien, Briand, Loïc, Topin, Jérémie, and Julien, Sabine

Subjects
[SDV.AEN] Life Sciences [q-bio]/Food and Nutrition, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology
Abstract

The Trace Amine Associated Receptors (TAARs) are a family of chemosensory receptors that recognize volatile amines. These receptors are few in number and highly conserved, compared to regular olfactory receptors. Polymorphisms in the TAAR family can have a drastic impact on our perception of amine compounds. Our study combine numerical simulations with in vitro experiments to reveal the activation mechanisms of the human TAAR5 receptor. The study focused on the hTAAR5-S95P polymorphism, which is found at high frequency in Nordic countries. This mutation affects the perception of trimethylamine (TMA), making individuals less able to perceive the smell of rotten fish caused by this molecule. The study's 3D model captures the inability of the hTAAR5-S95P variant to be activated by TMA in vitro, as well as the activation of the receptor by different agonists. Long-scale molecular dynamics simulations were used to study the system bound to ligands with different efficacies, providing insight into the features of a prototypical active state of G protein-coupled receptors. The study has identified two specific features of the TAAR family that are responsible for the altered perception of TMA in individuals with this polymorphism.

Published
2022

2. Structure-based virtual screening of bitter taste receptors

Author

Lalis, Maxence, Belloir, Christine, Topin, Jérémie, Briand, Loïc, Fiorucci, Sébastien, and Julien, Sabine

Subjects
[SDV.AEN] Life Sciences [q-bio]/Food and Nutrition, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology
Abstract

Understanding how chemicals code for a certain type of taste is fundamental for the development of a rational method to create new taste modulators. The identification of these new candidates is important for the food industry and would also be beneficial for the pharmacology industry. In humans, the bitter taste depends on a large family of 25 taste receptors type 2 (TAS2Rs) belonging to the G protein-coupled receptor (GPCR) family. They are classified distantly related to class A GPCR and, to date, the experimental structures have not been determined for any TAS2Rs. Here we present a new structure-based virtual screening strategy to expand the chemical space of bitter taste receptors. Combining molecular modeling (based on a recent general approach for modeling all mammal TAS2Rs1) and in vitro functional assays, we identified new active compounds as activators of human TAS2R14. Such agonists will be of broad interest beyond food science since TAS2Rs are ectopically expressed in other parts of the human body besides the tongue.

Published
2022

3. Numerical models contribute to expand the sweet taste chemical space

Author

Bouysset, Cédric, Belloir, Christine, Antonczak, Serge, Briand, Loïc, Fiorucci, Sébastien, and FIORUCCI, Sébastien

Subjects
[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [STAT.ML] Statistics [stat]/Machine Learning [stat.ML], [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Published
2021

4. Reverse chemical ecology expands the list of ligands for a crop pest insect odorant receptor

Author

Caballero-Vidal, Gabriela, Bouysset, Cédric, Fiorucci, Sébastien, Montagné, Nicolas, Golebiowski, Jerôme, Jacquin-Joly, Emmanuelle, Institut d'Ecologie et des Sciences de l'Environnement de Paris, Institut National de la Recherche Agronomique (INRA)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Recherche pour le Développement (IRD [France-Ouest])-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Ecole Normale Supérieure Paris-Saclay (ENS Paris Saclay), Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), FIORUCCI, Sébastien, and Université Nice Sophia Antipolis (1965 - 2019) (UNS)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract

International audience

Published
2019

5. Exploring the odor space of Spodoptera littoralis larvae

Author

Caballero-Vidal, Gabriela, Bouysset, Cédric, Fiorucci, Sébastien, Golebiowski, Jerôme, Meslin, Camille, Monsempes, Christelle, François, M.C., Montagné, Nicolas, Jacquin-Joly, Emmanuelle, Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris), Institut National de la Recherche Agronomique (INRA)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), Physiologie de la reproduction et des comportements [Nouzilly] (PRC), Institut National de la Recherche Agronomique (INRA)-Institut Français du Cheval et de l'Equitation [Saumur]-Université de Tours-Centre National de la Recherche Scientifique (CNRS), Institut d'écologie et des sciences de l'environnement de Paris (iEES), Centre National de la Recherche Scientifique (CNRS)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut National de la Recherche Agronomique (INRA), Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris ), Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Institut d'Ecologie et des Sciences de l'Environnement de Paris, Institut National de la Recherche Agronomique (INRA)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Recherche pour le Développement (IRD [France-Ouest])-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Ecole Normale Supérieure Paris-Saclay (ENS Paris Saclay), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Institut National de la Recherche Agronomique (INRA)-Institut Français du Cheval et de l'Equitation [Saumur]-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), Institut National de la Recherche Agronomique (INRA)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), FIORUCCI, Sébastien, Université Nice Sophia Antipolis (1965 - 2019) (UNS), Institut National de la Recherche Agronomique (INRA)-Institut Français du Cheval et de l'Equitation [Saumur] (IFCE)-Université de Tours (UT)-Centre National de la Recherche Scientifique (CNRS), and Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2019

6. Mechanism of GPCR activation triggered by ligands, mutations and protonation

Author

Cong, Xiaojing, Chéron, Jean-Baptiste, Antonczak, Serge, Fiorucci, Sébastien, Golebiowski, Jerôme, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), GGMM, and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2019

7. Modèle numérique des relations structure-saveur

Author

Bouysset, Cédric, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), GGMM, and FIORUCCI, Sébastien

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2019

8. Artificial intelligence models predict chemosensory percepts

Author

Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and FIORUCCI, Sébastien

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2019

9. Molecular insights into the structure-function relationships of bitter taste receptors

Author

Bouysset, Cédric, Topin, Jérémie, Wang, Yi, Jiang, Peihua, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and Monell Chemical Senses Center

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract

International audience

Published
2020
Full Text
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10. Prédictions in silico de ligands actifs sur les récepteurs olfactifs du papillon de nuit Spodoptera littoralis

Author

Caballero-Vidal, Gabriela, Bouysset, Cédric, Fiorucci, Sébastien, Montagne, Nicolas, Golebiowski, Jerôme, Jacquin-Joly, Emmanuelle, FIORUCCI, Sébastien, Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris), Institut National de la Recherche Agronomique (INRA)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), Institut d'écologie et des sciences de l'environnement de Paris (iEES Paris ), Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Nice Sophia Antipolis (1965 - 2019) (UNS), and Institut de Recherche pour le Développement (IRD)-Sorbonne Université (SU)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

National audience

Published
2019

11. Décrypter le code des odeurs

Author

Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and Pôle PASS-Terralia

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [CHIM.CHEM]Chemical Sciences/Cheminformatics, ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

National audience

Published
2019

12. Chimioréception de la saveur sucrée

Author

Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), Pôle de compétitivité PASS, and FIORUCCI, Sébastien

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2018

13. Bases moléculaires de la perception chimiosensorielle

Author

Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [CHIM.CHEM]Chemical Sciences/Cheminformatics, ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

National audience

Published
2018

14. Artificial Intelligence & Chemical Senses

Author

Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA), and GDR O3

Subjects
[INFO.INFO-AI] Computer Science [cs]/Artificial Intelligence [cs.AI], [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [INFO.INFO-AI]Computer Science [cs]/Artificial Intelligence [cs.AI], [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [CHIM.CHEM]Chemical Sciences/Cheminformatics, ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

National audience

Published
2018

15. Sweet taste receptor: from sequence to structure

Author

Chéron, Jean-Baptiste, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), SFC PACA, and FIORUCCI, Sébastien

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2016

16. Simulations moléculaires des interactions ligand-récepteur : Bases moléculaires de la perception chimio-sensorielle

Author

Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Université Nice Sophia Antipolis [UNS], Université Côte D'Azur, and Serge Antonczak

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM]Chemical Sciences, Molecular modelling, Sens chimique, Chemical senses, Modélisation moléculaire
Published
2017

17. Etude de relations structure-activité du récepteur au goût sucré

Author

Chéron, Jean-Baptiste, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), SFCI, and FIORUCCI, Sébastien

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2015

18. Description théorique d'un phénomène de 'substrate channeling' dans la biosynthèse de flavonoïdes

Author

Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract

International audience

Published
2015

19. Modelling of a metabolon involved in Flavonoid biosynthesis

Author

Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2014

20. The anatomy of mammalian sweet taste receptors

Author

Chéron, Jean-Baptiste, Golebiowski, Jerôme, Antonczak, Serge, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract

International audience

Published
2016

21. Structure-function of Odorant and Sweet-taste Recept.ors Based on Molecular Modeling

Author

Golebiowski, Jerôme, de March, Claire A., Chéron, Jean-Baptiste, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [CHIM.CHEM]Chemical Sciences/Cheminformatics
Abstract

International audience

Published
2016

22. Modelling of a metabolon involved in flavonoid biosynthesis: theoretical strategies

Author

Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2014

23. Ces molécules qui éveillent nos papilles

Author

Chéron, Jean-Baptiste, Golebiowski, Jérôme, Antonczak, Serge, Briand, Loïc, Fiorucci, Sébastien, Université de Nice - Sophia Antipolis ( UNSA ), Centre des Sciences du Goût et de l'Alimentation [Dijon] ( CSGA ), Institut National de la Recherche Agronomique ( INRA ) -Université de Bourgogne ( UB ) -AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique ( CNRS ), AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, Université de Nice Sophia-Antipolis (UNSA), Centre des Sciences du Goût et de l'Alimentation [Dijon] (CSGA), Centre National de la Recherche Scientifique (CNRS)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Recherche Agronomique (INRA)-Université de Bourgogne (UB), Institut National de la Recherche Agronomique (INRA)-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Nice (ICN), Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015 - 2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015 - 2019) (COMUE UCA)-Centre National de la Recherche Scientifique (CNRS), Daegu Gyeongbuk Institut des sciences et de la technologie (DGIST), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Université Bourgogne Franche-Comté [COMUE] (UBFC), and ProdInra, Archive Ouverte

Subjects
saveur, sour, [ SDV.AEN ] Life Sciences [q-bio]/Food and Nutrition, goût, récepteur gustatif, salty, chemical senses, acide, gustation, umami, gustatory receptor, espace chimique, taste, [SDV.AEN] Life Sciences [q-bio]/Food and Nutrition, salé, chemical space, sucré, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], bitter and umami, sens chimique, sweet, amer, [SDV.AEN]Life Sciences [q-bio]/Food and Nutrition
Abstract

The sense of taste is a chemical sense and one of the most ancestral sensory modalities. It allows detectingand appreciating taste molecules present in our food. Beyond our vital needs, the pleasure elicited from whatwe eat can drive our feeding behaviors sometimes up to excess. Food intake involves several sensorysystems, mainly smell and taste. The underlying molecular mechanisms are relatively complex. This articlefocuses on the extent of the chemical space associated with the five primary tastes (sour, salty, sweet, bitterand umami), and details the fundamental role of gustatory receptors in the perception of taste as well aswithin interindividual variabilities., Le sens du goût est un sens chimique et l’une des modalités sensorielles la plus ancestrale. Il permet dedétecter et d’apprécier les molécules sapides présentes dans notre alimentation. Au-delà de nos besoinsvitaux, le plaisir procuré par ce que nous mangeons peut orienter nos comportements, parfois jusqu’àl’excès. La prise alimentaire mobilise plusieurs systèmes sensoriels, principalement odorat et goût. Lesmécanismes moléculaires sous-jacents sont particulièrement complexes. Cet article fait le point surl’étendue des espaces chimiques associés aux cinq saveurs primaires (acide, salé, sucré, amer et umami)et détaille le rôle fondamental des récepteurs gustatifs dans la perception des saveurs ainsi que dans lesvariabilités interindividuelles.

Published
2016

24. Biosynthèse des flavonoïdes : une étude QM/MM MD de l'étape impliquant l'enzyme DFR

Author

Diharce, Julien, Golebiowski, Jerôme, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

National audience

Published
2013

25. Theoretical strategies for the modelling of a metabolon involved in flavonoid biosynthesis

Author

Diharce, Julien, Fiorucci, Sébastien, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2013

26. Deciphering the odorant binding protein-olfactory receptor interactions

Author

Viano, Marilyne, Kim, Kyung Sook, Goddard, William A., de March, Claire A., Golebiowski, Jerôme, Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and California Institute of Technology (CALTECH)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2015

27. Contribution de la modélisation moléculaire à la compréhension de la perception olfactive

Author

Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [CHIM.CHEM]Chemical Sciences/Cheminformatics, ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2013

28. Experimental and theoretical charaterization of macromolecular assemblies at low resolution

Author

Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and IBPC

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], [SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2013

29. Mécanismes enzymatiques de la production des anthocyanes: une étude par dynamique moléculaire QM/MM de l'étape impliquant DFR

Author

Diharce, Julien, Tuñón, Iñaki, Fiorucci, Sébastien, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Departamento de quimica fisica, and Universitat de València (UV)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2013

30. Multiresolution approaches for modeling biomolecular complexes

Author

Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2012

31. Modeling ligand-receptor interactions at the molecular level. Molecular dynamics used as a computational microscope to decipher the sense of smell

Author

Golebiowski, Jerôme, charlier, Landry, Topin, Jérémie, Fiorucci, Sébastien, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CHEM] Chemical Sciences/Cheminformatics, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [CHIM]Chemical Sciences, [SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.NEU] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC], [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [CHIM.CHEM]Chemical Sciences/Cheminformatics, ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2011

32. Prediction of protein-protein interface using electrostatic profile

Author

Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), INRIA Sophia Antipolis Méditerranée, and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2009

33. Electrostatic profiles of targets NMB0033 and CT043

Author

Fiorucci, Sébastien, Zacharias, Martin, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Jacobs University [Bremen], and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [SDV.IMM] Life Sciences [q-bio]/Immunology, [CHIM] Chemical Sciences, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.IMM]Life Sciences [q-bio]/Immunology, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2008

34. Antigen/Antibody docking improvement including hotspot and solvation energy

Author

Fiorucci, Sébastien, Zacharias, Martin, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Jacobs University [Bremen], and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [SDV.IMM] Life Sciences [q-bio]/Immunology, [CHIM] Chemical Sciences, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [SDV.IMM]Life Sciences [q-bio]/Immunology, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], ComputingMilieux_MISCELLANEOUS, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM]
Abstract

International audience

Published
2008

35. Biological activities of flavonoid compounds : approaches using quantum chemistry methods and molecular dynamic simulations

Author

Fiorucci, Sébastien, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Université de Nice Sophia-Antipolis (UNS), Daniel Cabrol-Bass, and Serge Antonczak

Subjects
[SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, Flavonoïdes, Antioxydants, [CHIM.CATA]Chemical Sciences/Catalysis, Catalyse, Métalloprotéines, Antioxydant, Catalysis, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Metalloprotein, Enzyme, [CHIM] Chemical Sciences, Flavonoid, [CHIM]Chemical Sciences, Quercetin, Quercétine
Abstract

The growing interest in flavonoid compounds arises from the broad spectrum of positive physiological activities to which they participate, such as anti-oxydant and antiradical potencies. By means of various theoretical chemistry approaches, we have studied, using quercetin as a model compound for this family, biological mechanisms for which flavonoids could be considered as substrates or inhibitors. Using quantum chemistry methods and molecular dynamic simulations, we have described the electronic, structural and energetic properties of this compound and we have characterised two biological processes in which quercetin is implied: as a substrate in the Quercetin 2,3-Dioxygenase enzyme, and as an inhibitor for the Lipogygenase-3 enzyme. These studies emphasize the complementarity of quantum chemistry and molecular dynamic methods, and our conclusions could be extended to other compounds presenting the 3-hydroxychromone site., L'intérêt grandissant porté sur les flavonoïdes provient du fait que ces composés présentent de nombreuses actions biologiques bénéfiques telles que des activités anti-oxydantes et anti-radicalaires. A l'aide de méthodes de chimie théorique, nous avons étudié, à travers le choix d'un composé modèle, la quercétine, divers mécanismes biologiques pour lesquels les flavonoïdes pouvaient être considérées comme des substrats ou des inhibiteurs. A l'aide des méthodes de la chimie quantique et de dynamique moléculaire, nous nous sommes attaché à décrire ses caractéristiques électroniques, structurales et énergétiques et nous avons caractérisé deux processus biologiques l'impliquant : substrat de l'enzyme Quercétine 2,3-Dioxygénase, et inhibiteur de l'enzyme Lipoxygénase-3. Ces études ont mis l'accent sur la complémentarité des méthodes de chimie quantique et de dynamique moléculaire et nos conclusions pourront être étendues à des composés présentant le site 3-hydroxychromone.

Published
2006

36. Le mécanisme d’oxygénolyse de flavonoïdes : une synergie entre enzyme et substrat

Author

Fiorucci, Sébastien, Golebiowski, Jerôme, Cabrol-Bass, Daniel, Antonczak, Serge, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2006

37. Un nouveau site d'entrée dans l'enzyme Quercetin 2,3-Dioxygénase révélé par simulations de dynamique moléculaire : un canal pour le dioxygène?

Author

Antonczak, Serge, Fiorucci, Sébastien, Cabrol-Bass, Daniel, Golebiowski, Jerôme, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2005

38. Oxygénolyse de flavonoïdes : Etudes DFT du cas de la quercétine

Author

Fiorucci, Sébastien, Golebiowski, Jerôme, Cabrol-Bass, Daniel, Antonczak, Serge, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), and FIORUCCI, Sébastien

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2004

39. Oxygenolysis of flavonoid compounds. Theoretical mechanism description for the quercetin case

Author

Antonczak, Serge, Fiorucci, Sébastien, Golebiowski, Jerôme, Cabrol-Bass, Daniel, FIORUCCI, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM] Chemical Sciences, [CHIM]Chemical Sciences, [SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2004

40. Enzymatic Mechanisms involving Flavonoïds: a Theoretical Point of View

Author

Antonczak, Serge, Fiorucci, Sébastien, Cabrol-Bass, Daniel, Golebiowski, Jerôme, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), and COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, [CHIM]Chemical Sciences, [CHIM.CATA]Chemical Sciences/Catalysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2008

41. Activités biologiques de composés de la famille des flavonoïdes : approches par des méthodes de chimie quantique et de dynamique moléculaire

Author

Fiorucci, Sébastien, Institut de Chimie de Nice (ICN), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Côte d'Azur (UCA)-Université Nice Sophia Antipolis (... - 2019) (UNS), COMUE Université Côte d'Azur (2015-2019) (COMUE UCA)-COMUE Université Côte d'Azur (2015-2019) (COMUE UCA), Université de Nice Sophia-Antipolis (UNS), Daniel Cabrol-Bass, and Serge Antonczak

Subjects
Flavonoïdes, Antioxydants, [CHIM.CATA]Chemical Sciences/Catalysis, Catalyse, Métalloprotéines, Antioxydant, Catalysis, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, Metalloprotein, Enzyme, Flavonoid, [CHIM]Chemical Sciences, Quercetin, Quercétine
Abstract

The growing interest in flavonoid compounds arises from the broad spectrum of positive physiological activities to which they participate, such as anti-oxydant and antiradical potencies. By means of various theoretical chemistry approaches, we have studied, using quercetin as a model compound for this family, biological mechanisms for which flavonoids could be considered as substrates or inhibitors. Using quantum chemistry methods and molecular dynamic simulations, we have described the electronic, structural and energetic properties of this compound and we have characterised two biological processes in which quercetin is implied: as a substrate in the Quercetin 2,3-Dioxygenase enzyme, and as an inhibitor for the Lipogygenase-3 enzyme. These studies emphasize the complementarity of quantum chemistry and molecular dynamic methods, and our conclusions could be extended to other compounds presenting the 3-hydroxychromone site.; L'intérêt grandissant porté sur les flavonoïdes provient du fait que ces composés présentent de nombreuses actions biologiques bénéfiques telles que des activités anti-oxydantes et anti-radicalaires. A l'aide de méthodes de chimie théorique, nous avons étudié, à travers le choix d'un composé modèle, la quercétine, divers mécanismes biologiques pour lesquels les flavonoïdes pouvaient être considérées comme des substrats ou des inhibiteurs. A l'aide des méthodes de la chimie quantique et de dynamique moléculaire, nous nous sommes attaché à décrire ses caractéristiques électroniques, structurales et énergétiques et nous avons caractérisé deux processus biologiques l'impliquant : substrat de l'enzyme Quercétine 2,3-Dioxygénase, et inhibiteur de l'enzyme Lipoxygénase-3. Ces études ont mis l'accent sur la complémentarité des méthodes de chimie quantique et de dynamique moléculaire et nos conclusions pourront être étendues à des composés présentant le site 3-hydroxychromone.

Published
2006

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