A5013197450- Olfactory and Sensory Function Studies
- Biochemical Analysis and Sensing Techniques
- Advanced Chemical Sensor Technologies
- Computational Drug Discovery Methods
- Neurobiology and Insect Physiology Research
- Protein Structure and Dynamics
- Receptor Mechanisms and Signaling
- Plant biochemistry and biosynthesis
- Plant Gene Expression Analysis
- Microbial Metabolic Engineering and Bioproduction
- Free Radicals and Antioxidants
- RNA and protein synthesis mechanisms
- Photosynthetic Processes and Mechanisms
- Monoclonal and Polyclonal Antibodies Research
- Insect Utilization and Effects
- Insect and Pesticide Research
- Metal-Catalyzed Oxygenation Mechanisms
- Machine Learning in Bioinformatics
- Insect Pheromone Research and Control
- Enzyme Structure and Function
- Microbial Metabolism and Applications
- Protein purification and stability
- Mass Spectrometry Techniques and Applications
- Insect and Arachnid Ecology and Behavior
- Neurological Disease Mechanisms and Treatments
Institut de Chimie de Nice
2016-2025
Université Côte d'Azur
2016-2025
Centre National de la Recherche Scientifique
2013-2025
Observatoire de la Côte d’Azur
2017-2022
Laboratoire de Mathématiques d'Orsay
2016
University of Perugia
2012
Constructor University
2008-2010
Centre de Gestion Scientifique
2007
Abstract Recent anecdotal and scientific reports have provided evidence of a link between COVID-19 chemosensory impairments, such as anosmia. However, these downplayed or failed to distinguish potential effects on taste, ignored chemesthesis, generally lacked quantitative measurements. Here, we report the development, implementation, initial results multilingual, international questionnaire assess self-reported quantity quality perception in 3 distinct modalities (smell, chemesthesis) before...
Abstract Interaction fingerprints are vector representations that summarize the three-dimensional nature of interactions in molecular complexes, typically formed between a protein and ligand. This kind encoding has found many applications drug-discovery projects, from structure-based virtual-screening to machine-learning. Here, we present ProLIF, Python library designed generate interaction for complexes extracted dynamics trajectories, experimental structures, docking simulations. It can...
Quercetin, one of the most representative flavonoid compounds, is involved in antiradical, antioxidant, and prooxidant biological processes. Despite a constant increase knowledge on both positive negative activities quercetin, it unclear which activated form (quinone, semiquinone, or deprotonated) actually plays role each these Structural, electronic, energetic characteristics as well influence copper ion all parameters, are studied by means quantum chemical electronic structure...
Predicting the activity of chemicals for a given odorant receptor is longstanding challenge. Here 258 on human G-protein-coupled (OR)51E1, also known as prostate-specific 2 (PSGR2), was virtually screened by machine learning using 4884 chemical descriptors input. A systematic control functional in vitro assays revealed that support vector algorithm accurately predicted library. It allowed us to identify two novel agonists OR51E1. The transferability protocol assessed OR1A1, OR2W1, and...
Divalent and trivalent salts exhibit a complex taste profile. They are perceived as being astringent/drying, sour, bitter, metallic. We hypothesized that human bitter-taste receptors may mediate some attributes of these salts. Using cell-based functional assay, we found TAS2R7 responds to broad range divalent salts, including zinc, calcium, magnesium, copper, manganese, aluminum, but not potassium, suggesting act metal cation receptor mediating bitterness Molecular modeling mutagenesis...
Abstract Mammalian sense of smell is triggered by interaction between odorant molecules and a class proteins, called olfactory receptors (ORs). These receptors, expressed at the surface sensory neurons, encode myriad distinct odors via sophisticated activation pattern. However, determining molecular recognition spectrum ORs remains major challenge. The Molecule to Olfactory Receptor database (M2OR, https://m2or.chemsensim.fr/) provides curated data that allows an easy exploration current...
Abstract The ATTRACT protein–protein docking program combined with a coarse‐grained protein model has been used to predict complex structures in CAPRI rounds 13–19. For six targets acceptable or better quality solutions have submitted (high predictions for 32, 40, 41, and 42). improved performance compared previous can be attributed part the inclusion of conformational flexibility during systematic searches an optimized scoring function. In addition, recently developed method prediction...
All sweet-tasting compounds are detected by a single G-protein coupled receptor (GPCR), the heterodimer T1R2-T1R3, for which no experimental structure is available. The sweet taste class C GPCR, and recently published crystallographic structures of metabotropic glutamate (mGluR) 1 5 provide significant step forward understanding structure-function relationships within this family. In article, we recapitulate more than 600 point site-directed mutations available structural data to obtain...
Odorant receptors (ORs) are main actors of the insects peripheral olfactory system, making them prime targets for pest control through disruption. Traditional methods employed in context chemical ecology identifying OR ligands rely on analyzing compounds present insect's environment or screening molecules with structures similar to known ligands. However, these approaches can be time-consuming and constrained by limited space they explore. Recent advances structural understanding, coupled...
The fish olfactory receptor ORA family is orthologous to the mammalian vomeronasal receptors type 1. It consists of six highly conserved chemosensory expected be essential for survival and communication. We deorphanized zebrafish in a heterologous cell system. responded specifically lithocholic acid (LCA) closely related C24 5β-bile acids/salts. LCA attracted as strongly food behavioral tests, whereas less potent cholanic elicited weaker attraction, consistent with vitro results. ORA-ligand...
We present an interdisciplinary approach that, by incorporating a range of experimental and computational techniques, allows the identification characterization functional/immunogenic domains. This has been applied to ArtJ, arginine-binding protein whose orthologs in Chlamydiae trachomatis (CT ArtJ) pneumoniae (CPn are shown have different immunogenic properties despite high sequence similarity (60% identity). solved crystallographic structures CT ArtJ CPn which found display type II...
Abstract Recent anecdotal and scientific reports have provided evidence of a link between COVID-19 chemosensory impairments such as anosmia. However, these downplayed or failed to distinguish potential effects on taste, ignored chemesthesis, generally lacked quantitative measurements, were mostly restricted data from single countries. Here, we report the development, implementation initial results multi-lingual, international questionnaire assess self-reported quantity quality perception in...
The concept of reverse chemical ecology (exploitation molecular knowledge for ecology) has recently emerged in conservation biology and human health. Here, we extend this to crop protection. Targeting odorant receptors from a pest insect, the noctuid moth Spodoptera littoralis, demonstrate that potential accelerate discovery novel insect attractants repellents. Using machine learning, first predicted natural ligands two receptors, SlitOR24 25. Then, electrophysiological validation proved...
Abstract Odorant receptors expressed at the peripheral olfactory organs are key proteins for animal volatile sensing. Although they determine odor space of a given species, their functional characterization is long process and remains limited. To date, machine learning virtual screening has been used to predict new ligands such in both mammals insects, using chemical features known ligands. In approach yet limited Diptera, whereas insect odorant be highly divergent between orders. Here, we...
Flavonoids are naturally occurring phenol derivatives present in substantial amounts a large variety of plants, fruits and vegetables daily eaten by humans. Most these compounds exhibit several interesting biological activities, such as antiradical antioxidant actions. Indeed, complexation with specific enzymes, flavonoids notably liable to metabolize molecular dioxygen. On the basis experimental results describing oxygenolysis flavonoid quercetin, activated enzyme quercetin 2,3-dioxygenase...
Abstract Background Macromolecular docking is a challenging field of bioinformatics. Developing new algorithms slow process generally involving routine tasks that should be found in robust library and not programmed from scratch for every software application. Results We present an object-oriented Python/C++ to help the development methods. This contains low-level routines like PDB-format manipulation functions as well high-level tools analyzing results. also illustrate ease use this with...
Abstract Citronellol is a pleasant-smelling compound produced in rose (Rosa spp.) flowers and the leaves of many aromatic plants, including pelargoniums (Pelargonium spp.). Although geraniol production has been well studied several citronellol biosynthesis documented only crab-lipped spider orchid (Caladenia plicata) its mechanism remains open to question other species. We therefore profiled 10 pelargonium accessions using RNA sequencing gas chromatography-MS analysis. Three enzymes from...
A replica-exchange protocol remarkably enhances the sampling of activation dynamics neurotensin receptor type 1, a G protein-coupled (GPCR) and important drug target. Our work highlights dynamic communication between conformational changes agonist protein-binding site, via contraction-oscillation orthosteric pocket. It also gives insights into mechanism by which certain mutations diminish or stimulate activation. The effectively barrier crossing where standard brute-force molecular...
Abstract Odorant binding proteins (OBP's) are small hydrophilic proteins, belonging to the lipocalin family dedicated bind and transport hydrophobic ligands. Despite many works, mechanism of ligand binding, together with functional role these remains a topic debate little is known at atomic level. The present work reports computational study odorants capture release by an OBP, using both constrained unconstrained simulations, giving glimpse on molecular chemoreception. residues origin...