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1. Bases moléculaires de la perception chimiosensorielle

Author

Bouysset, Cédric and STAR, ABES

Subjects
Chémoinformatique, GPCR, [CHIM.OTHE] Chemical Sciences/Other, Taste, Machine learning, [CHIM.CHEM] Chemical Sciences/Cheminformatics, Molecular modeling, Chemoinformatics, RCPG, Apprentissage automatique, Olfaction, Modélisation moléculaire, Gustation
Abstract

Smell and taste perception consists in a chemical stimulation of transmembrane receptors lying on the surface of sensory cells located in the nasal or oral cavity. The receptors involved in olfaction and the perception of bitter, sweet and umami taste all belong to the well-studied G protein-coupled receptors (GPCR) family, yet to date their exact tridimensional structure still eludes us. In this thesis, I study the molecular structures at the frontline of chemosensory perception, namely receptors and their ligands, through a computational lens. To begin with, I expose how quantitative structure-activity relationships (QSAR) lead us to the discovery of natural semiochemicals that effectively disrupt the destructive behavior of a pest to crop plants, Spodoptera littoralis, by targeting its olfactory receptors. I then apply a similar machine learning strategy to develop an online predictive platform that estimates the relative sweetness of molecules based on their structure, resulting in the discovery of a novel sweet-tasting lignan scaffold. Finally, I make use of molecular modeling and available mutagenesis data to provide relevant three-dimensional models of bitter taste receptors, and predict molecular switches involved in ligand-sensing and receptor activation. Besides, I design a Python library that encodes interactions in molecular complexes as fingerprints for an efficient analysis of molecular dynamics trajectories, docking results and experimental structures, and showcase it on a variety of scenarios involving GPCRs. Overall, this thesis illustrates the implementation of computational strategies to gain knowledge on chemosensory perception, from taste to olfaction, at the molecular level., La perception olfactive et gustative provient d’une stimulation de nature chimique des récepteurs transmembranaires émergeants de la surface de cellules sensorielles situées dans la cavité nasale ou orale. Les récepteurs impliqués dans la perception des odeurs et des goûts amer, sucré et umami appartiennent à la famille des récepteurs couplés aux protéines G (RCPG). Malgré une connaissance approfondie de cette famille, une définition précise de la structure tridimensionnelle des RCPG chimiosensoriels nous échappe encore à ce jour. Dans cette thèse, je mets en lumière les structures moléculaires en première ligne de la perception chimiosensorielle, à savoir les récepteurs et leurs ligands, au travers d’un microscope computationnel. Dans un premier temps, je mets en avant un cas concret d’utilisation des relations quantitatives structure à activité (QSAR) par la découverte de composés sémiochimiques naturels interférant avec le comportement destructeur d’un insecte ravageur de cultures agricoles, Spodoptera littoralis, en ciblant ses récepteurs olfactifs. Par la suite, en me basant sur une méthode d’apprentissage automatique similaire, je conçois une plateforme en ligne permettant la prédiction du pouvoir sucrant de molécules en se basant sur leur structure, ce qui nous a permis de révéler un composé sucré innovant de la famille des lignanes. Pour finir, grâce aux outils de modélisation moléculaire et aux données de mutagénèse dirigée, je construits des modèles 3D de récepteurs au goût amer afin de prédire les interrupteurs moléculaires impliqués dans la détection des ligands et l’activation de ces récepteurs. En parallèle, je développe une librairie Python qui encode les interactions de complexes moléculaires sous forme d’empreinte numérique afin d’analyser des trajectoires de dynamique moléculaire, des structures issues d’amarrage moléculaire, ou des structures expérimentales, et je mets en valeur ce logiciel dans une multitude de scenarios impliquant des RCPG. Dans l’ensemble, ces travaux de thèse illustrent la mise en œuvre de méthodes numériques pour extraire des informations sur la perception chimiosensorielle, qu’elle soit olfactive ou gustative, à l’échelle moléculaire.

Published
2021

2. 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

3. The best COVID-19 predictor is recent smell loss: a cross-sectional study

Author

Gerkin, Richard, Ohla, Kathrin, Veldhuizen, Maria Geraldine, Joseph, Paule, Kelly, Christine, Bakke, Alyssa, Steele, Kimberley, Pellegrino, Robert, Pepino, Marta, Bouysset, Cédric, Soler, Graciela, Pereda-Loth, Veronica, Dibattista, Michele, Cooper, Keiland, Croijmans, Ilja, Di Pizio, Antonella, Ozdener, M. Hakan, D'Errico, Anna, Fischmeister, Florian Ph.S, Bock, María Adelaida, Domínguez, Paloma Paloma, Yanık, Hüseyin, Boesveldt, Sanne, de Groot, Jasper, Dinnella, Caterina, Freiherr, Jessica, Laktionova, Tatiana, Mariño, Sajidxa, Monteleone, Erminio, Nunez-Parra, Alexia, Abdulrahman, Olagunju, Ritchie, Marina, Thomas-Danguin, Thierry, Walsh-Messinger, Julie, Al Abri, Rashid, Alizadeh, Rafieh, Bignon, Emmanuelle, Cantone, Elena, Cecchini, Maria Paola, Chen, Jingguo, Guàrdia, Maria Dolors, Hoover, Kara, Karni, Noam, Navarro, Marta, Nolden, Alissa, Mazal, Patricia Portillo, Rowan, Nicholas, Sarabi-Jamab, Atiye, Archer, Nicholas, Chen, Ben, Di Valerio, Elizabeth, Feeney, Emma, Frasnelli, Johannes, Hannum, Mackenzie, Hopkins, Claire, Klein, Hadar, Mignot, Coralie, Mucignat, Carla, Ning, Yuping, Ozturk, Elif, Peng, Mei, Saatci, Ozlem, Sell, Elizabeth, Yan, Carol, Alfaro, Raul, Cecchetto, Cinzia, Coureaud, Gérard, Herriman, Riley, Justice, Jeb, Kaushik, Pavan Kumar, Koyama, Sachiko, Overdevest, Jonathan, Pirastu, Nicola, Ramirez, Vicente, Roberts, S. Craig, Smith, Barry, Cao, Hongyuan, Wang, Hong, Balungwe, Patrick, Baguma, Marius, Veldhuizen, Maria, Farruggia, Michael, Pizio, Antonella, Hakan Ozdener, M, Fjaeldstad, Alexander, Lin, Cailu, Sandell, Mari, Singh, Preet, Brindha, V. Evelyn, Olsson, Shannon, Saraiva, Luis, Ahuja, Gaurav, Alwashahi, Mohammed, Bhutani, Surabhi, Fornazieri, Marco, Golebiowski, Jérôme, Hwang, Liang-Dar, Öztürk, Lina, Roura, Eugeni, Spinelli, Sara, Whitcroft, Katherine, Faraji, Farhoud, Fischmeister, Florian, Heinbockel, Thomas, Hsieh, Julien, Huart, Caroline, Konstantinidis, Iordanis, Menini, Anna, Morini, Gabriella, Olofsson, Jonas, Philpott, Carl, Pierron, Denis, Shields, Vonnie, Voznessenskaya, Vera, Albayay, Javier, Altundag, Aytug, Bensafi, Moustafa, Bock, María, Calcinoni, Orietta, Fredborg, William, Laudamiel, Christophe, Lim, Juyun, Lundström, Johan, Macchi, Alberto, Meyer, Pablo, Moein, Shima, Santamaría, Enrique, Sengupta, Debarka, Rohlfs Dominguez, Paloma, Yanik, Hüseyin, Group, GCCR, Hummel, Thomas, Hayes, John, Reed, Danielle, Niv, Masha, Munger, Steven, Parma, Valentina, Arizona State University [Tempe] (ASU), Institute of Neuroscience and Medicine [Jülich] (INM-1), Mersin University, National Institutes of Health [Bethesda] (NIH), AbScent, Pennsylvania State University (Penn State), Penn State System, National Institute of Diabetes and Digestive and Kidney Diseases [Bethesda], Yale University [New Haven], Tennessee State University, University of Illinois at Urbana-Champaign [Urbana], University of Illinois System, 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), Buenos Aires University and GEOG (Grupo de Estudio de Olfato y Gusto), Anthropologie Moléculaire et Imagerie de Synthèse (AMIS), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), University of Bari Aldo Moro (UNIBA), University of California [Irvine] (UCI), University of California, Utrecht University [Utrecht], Technische Universität Munchen - Université Technique de Munich [Munich, Allemagne] (TUM), Monell Chemical Senses Center, Regional Hospital West Jutland [Denmark], University of Helsinki, University of Oslo (UiO), Karunya University, Tata Institute for Fundamental Research (TIFR), Research at Sidra Medicine Research Branch [Doha, Qatar], Indraprastha Institute of Information Technology [New Delhi] (IIIT-Delhi), Sultan Qaboos University (SQU), San Diego State University (SDSU), Goethe-University Frankfurt am Main, State University of Londrina = Universidade Estadual de Londrina, University of Queensland [Brisbane], Università degli Studi di Firenze = University of Florence [Firenze] (UNIFI), University College of London [London] (UCL), University of Graz, Howard University, Geneva University Hospital (HUG), Cliniques Universitaires Saint-Luc [Bruxelles], Aristotle University of Thessaloniki, Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), University of Gastronomic Sciences of Pollenzo (UNISG), Stockholm University, University of East Anglia [Norwich] (UEA), Towson University [Towson, MD, United States], University of Maryland System, A.N. Severtsov Institute of Ecology and Evolution, Russian Academy of Sciences [Moscow] (RAS), Universita degli Studi di Padova, Biruni University, Centre de recherche en neurosciences de Lyon (CRNL), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Université Jean Monnet [Saint-Étienne] (UJM)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Hospital General de Barrio Obrero [Asunción, Paraguay] (Public Hospital Barrio Obrero ), Private practice [Milan], DreamAir Llc, Oregon State University (OSU), Cancer Center Karolinska [Karolinska Institutet] (CCK), Karolinska Institutet [Stockholm], University of Insubria, Varese, Computational Biology Center (IBM T.J. Watson Research Center), IBM, Institute for Research in Fundamental Sciences [Tehran] (IPM), Instituto de Investigación Sanitaria de Navarra [Pamplona, Spain] (IdiSNA), University of Extremadura, Technische Universität Dresden = Dresden University of Technology (TU Dresden), The Hebrew University of Jerusalem (HUJ), University of Florida [Gainesville] (UF), Temple University [Philadelphia], Pennsylvania Commonwealth System of Higher Education (PCSHE), Non-byline authors (to be listed as collaborators in PubMed under the GCCR Group Author): Sanne Boesveldt, Jasper H.B. de Groot, Caterina Dinnella, Jessica Freiherr, Tatiana Laktionova, Sajidxa Mariño, Erminio Monteleone, Alexia Nunez-Parra, Olagunju Abdulrahman, Marina Ritchie, Thierry Thomas-Danguin, Julie Walsh-Messinger, Rashid Al Abri, Rafieh Alizadeh, Emmanuelle Bignon, Elena Cantone, Maria Paola Cecchini, Jingguo Chen, Maria Dolors Guàrdia, Kara C. Hoover, Noam Karni, Marta Navarro, Alissa A. Nolden, Patricia Portillo Mazal, Nicholas R. Rowan, Atiye SarabiJamab, Nicholas S. Archer, Ben Chen, Elizabeth A. Di Valerio, Emma L. Feeney, Johannes Frasnelli, Mackenzie E. Hannum, Claire Hopkins, Hadar Klein, Coralie Mignot, Carla Mucignat, Yuping Ning, Elif E. Ozturk, Mei Peng, Ozlem Saatci, Elizabeth A. Sell, Carol H. Yan, Raul Alfaro, Cinzia Cecchetto, Gérard Coureaud, Riley D. Herriman, Jeb M. Justice, Pavan Kumar Kaushik, Sachiko Koyama, Jonathan B. Overdevest, Nicola Pirastu, Vicente A. Ramirez, S. Craig Roberts, Barry C. Smith, Hongyuan Cao, Hong Wang, Patrick Balungwe Birindwa, Marius Baguma, Karl-Franzens-Universität [Graz, Autriche], Forschungszentrum Jülich GmbH | Centre de recherche de Juliers, Helmholtz-Gemeinschaft = Helmholtz Association, The Pennsylvania State University, University of Tennessee, University of Buenos Aires [Argentina], Università degli studi di Bari Aldo Moro (UNIBA), Goethe University of Frankfurt am Main, Wageningen University and Research [Wageningen] (WUR), Radboud university [Nijmegen], Friedrich-Alexander Universität Erlangen-Nürnberg (FAU), A.N. Severtsov Institute of Ecology and Evolution RAS, 119071, Russia., RespiraLibre - Centro de Otorrinolaringología, Department of Agriculture, Food, Environment and Forestry (DAGRI), University of Florence, Partenaires INRAE, Universidad de Chile = University of Chile [Santiago] (UCHILE), Federal University of Technology of Akure (FUTA), Centre des Sciences du Goût et de l'Alimentation [Dijon] (CSGA), 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), University of Dayton, Iran University of Medical Sciences, University of Naples Federico II, University of Verona (UNIVR), Head and Neck Surgery, Hospital of Xi'an Jiaotong University, Institute of Agrifood Research and Technology (IRTA), University of Alaska [Fairbanks] (UAF), Hadassah Hebrew University Medical Center [Jerusalem], University of Southern Queensland (USQ), University of Massachusetts, Instituto Universitario del Hospital Italiano [Buenos Aires, Argentina], Johns Hopkins University School of Medicine [Baltimore], Commonwealth Scientific and Industrial Research Organisation [Canberra] (CSIRO), The First Affiliated Hospital of Guangzhou Medical University (GMU), University College Dublin [Dublin] (UCD), Université du Québec à Trois-Rivières (UQTR), Guy's and St Thomas' Hospitals, University of Padova [Padova, Italy], Kilis Yedi Aralik University, University of Otago [Dunedin, Nouvelle-Zélande], Sancaktepe Education and Research Hospital, Hospital of the University of Pennsylvania (HUP), Perelman School of Medicine, University of Pennsylvania [Philadelphia]-University of Pennsylvania [Philadelphia], UC San Diego Health, University ofFlorida, Tata Institute of Fundamental Research, Indiana University [Bloomington], Indiana University System, Columbia University Irving Medical Center (CUIMC), University of Edinburgh, University of California [Merced], University of Stirling, University of London [London], Florida State University [Panama City], Université catholique de Bukavu, Leibniz-Institute for Food Systems Biology at the Technical University of Munich, Karunya Institute of Technology and Sciences, Sidra Medicine, School of Exercise and Nutritional Sciences, Howard University College of Medicine, Geneva University Hospitals, Geneva University , Geneva , Switzerland., CHU Genève, General Hospital Papageorgiou, University of Toulouse, University of Padova, Lyon Neuroscience Research center, IBM T.J. Watson Research Center, Navarrabiomed-IdiSNA, Temple University, Julien, Sabine, Université Nice Sophia Antipolis (1965 - 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), Universitad de Buenos Aires = University of Buenos Aires [Argentina], Università degli studi di Bari Aldo Moro = University of Bari Aldo Moro (UNIBA), University of California [Irvine] (UC Irvine), University of California (UC), Karl-Franzens-Universität Graz, Universidad de Extremadura - University of Extremadura (UEX), Radboud University [Nijmegen], Università degli Studi di Firenze = University of Florence (UniFI), University of Naples Federico II = Università degli studi di Napoli Federico II, Università degli studi di Verona = University of Verona (UNIVR), Institut de Recerca i Tecnologia Agroalimentàries = Institute of Agrifood Research and Technology (IRTA), Università degli Studi di Padova = University of Padua (Unipd), University of Pennsylvania-University of Pennsylvania, School of Medicine [Univ California San Diego] (UC San Diego), University of California [San Diego] (UC San Diego), University of California (UC)-University of California (UC)-University of California [San Diego] (UC San Diego), University of California (UC)-University of California (UC), Centre de recherche en neurosciences de Lyon - Lyon Neuroscience Research Center (CRNL), Université de Lyon-Université de Lyon-Université Jean Monnet - Saint-Étienne (UJM)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Tata Institute of Fundamental Research [Bangalore], University of California [Merced] (UC Merced), Helsingin yliopisto = Helsingfors universitet = University of Helsinki, Sidra Medicine [Doha, Qatar], Universitá degli Studi dell’Insubria = University of Insubria [Varese] (Uninsubria), and Universitá degli Studi dell’Insubria

Subjects
Adult, Male, medicine.medical_specialty, Coronavirus disease 2019 (COVID-19), Cross-sectional study, Visual analogue scale, Anosmia, Audiology, Logistic regression, AcademicSubjects/SCI01180, Article, Odds, 03 medical and health sciences, 0302 clinical medicine, [SDV.MHEP.MI]Life Sciences [q-bio]/Human health and pathology/Infectious diseases, Hyposmia, Humans, Medicine, [SDV.MHEP.OS]Life Sciences [q-bio]/Human health and pathology/Sensory Organs, 030223 otorhinolaryngology, SARS-CoV-2, business.industry, [SCCO.NEUR]Cognitive science/Neuroscience, COVID-19, Middle Aged, Prognosis, Smell, [SDV.AEN] Life Sciences [q-bio]/Food and Nutrition, Cross-Sectional Studies, [SDV.MHEP.OS] Life Sciences [q-bio]/Human health and pathology/Sensory Organs, Smell loss, [SDV.MHEP.MI] Life Sciences [q-bio]/Human health and pathology/Infectious diseases, Female, Original Article, Self Report, medicine.symptom, business, [SDV.AEN]Life Sciences [q-bio]/Food and Nutrition, 030217 neurology & neurosurgery, [SDV.MHEP]Life Sciences [q-bio]/Human health and pathology
Abstract

BackgroundCOVID-19 has heterogeneous manifestations, though one of the most common symptoms is a sudden loss of smell (anosmia or hyposmia). We investigated whether olfactory loss is a reliable predictor of COVID-19.MethodsThis preregistered, cross-sectional study used a crowdsourced questionnaire in 23 languages to assess symptoms in individuals self-reporting recent respiratory illness. We quantified changes in chemosensory abilities during the course of the respiratory illness using 0-100 visual analog scales (VAS) for participants reporting a positive (C19+; n=4148) or negative (C19-; n=546) COVID-19 laboratory test outcome. Logistic regression models identified singular and cumulative predictors of COVID-19 status and post-COVID-19 olfactory recovery.ResultsBoth C19+ and C19-groups exhibited smell loss, but it was significantly larger in C19+ participants (mean±SD, C19+: -82.5±27.2 points; C19-: -59.8±37.7). Smell loss during illness was the best predictor of COVID-19 in both single and cumulative feature models (ROC AUC=0.72), with additional features providing negligible model improvement. VAS ratings of smell loss were more predictive than binary chemosensory yes/no-questions or other cardinal symptoms, such as fever or cough. Olfactory recovery within 40 days was reported for ∼50% of participants and was best predicted by time since illness onset.ConclusionsAs smell loss is the best predictor of COVID-19, we developed the ODoR-19 tool, a 0-10 scale to screen for recent olfactory loss. Numeric ratings ≤2 indicate high odds of symptomatic COVID-19 (4

Published
2020

4. 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

5. 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

6. 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

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. 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

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