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Mapping ligands for MT1/MT2 and 5-HT2C receptors: Chemotypes, SAR, and polypharmacology
Alban Lepailleur
,
Damien Geslin
,
Johanna Giovannini
,
Bertrand Cuissart
,
Jean-Luc Lamotte
et al.
Article dans une revue
hal-05474436v1
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Navigating pharmacophore space to identify activity discontinuities: a case study with BCR‐ABL
Maroua Lejmi
,
Damien Geslin
,
Ronan Bureau
,
Bertrand Cuissart
,
Ilef Ben Slima
et al.
Article dans une revue
hal-04667697v1
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Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta
Etienne Lehembre
,
Johanna Giovannini
,
Damien Geslin
,
Alban Lepailleur
,
Jean-Luc Lamotte
et al.
Article dans une revue
hal-04313812v1
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Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data
Damien Geslin
,
Alban Lepailleur
,
Jean-Luc Manguin
,
Nhat-Vinh Vo
,
Jean-Luc Lamotte
et al.
Article dans une revue
hal-03658524v1
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Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1
Mohammed Benabderrahmane
,
Ronan Bureau
,
Anne Sophie Voisin-Chiret
,
Jana Sopkova-de Oliveira Santos
Article dans une revue
hal-03961772v1
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Synthesis of 3,3-Diarylazetidines by Calcium(II)-Catalyzed Friedel–Crafts Reaction of Azetidinols with Unexpected Cbz Enhanced Reactivity
Camille Denis
,
Maryne Dubois
,
Anne-Sophie Voisin-Chiret
,
Ronan Bureau
,
Chulho Choi
et al.
Article dans une revue
hal-02043642v1
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Structure-guided design of pyridoclax derivatives based on Noxa / Mcl-1 interaction mode
Siham Hedir
,
Marcella de Giorgi
,
Jade Fogha
,
Martina de Pascale
,
Louis-Bastien Weiswald
et al.
Article dans une revue
inserm-01980723v1
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The Pharmacophore Network: A Computational Method for Exploring Structure–Activity Relationships from a Large Chemical Data Set
Jean-Philippe Metivier
,
Bertrand Cuissart
,
Ronan Bureau
,
Alban Lepailleur
Article dans une revue
hal-02043686v1
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Joint effects of nine antidepressants on Raphidocelis subcapitata and Skeletonema marinoi : A matter of amine functional groups
Laetitia Minguez
,
Ronan Bureau
,
Marie-Pierre Halm-Lemeille
Article dans une revue
hal-01800709v1
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Non a Priori Automatic Discovery of 3D Chemical Patterns: Application to Mutagenicity
Julien Rabatel
,
Fannes Thomas
,
Alban Lepailleur
,
Jérémie Le Goff
,
Bruno Crémilleux
et al.
Article dans une revue
hal-01576894v1
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A Computational Selection of Metabolite Biomarkers Using Emerging Pattern Mining: A Case Study in Human Hepatocellular Carcinoma
Guillaume Poezevara
,
Sylvain Lozano
,
Bertrand Cuissart
,
Ronan Bureau
,
Pierre Bureau
et al.
Article dans une revue
hal-01576908v1
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The Arg-Phe-amide peptide 26RFa/glutamine RF-amide peptide and its receptor: IUPHAR Review 24
Jérôme Leprince
,
Didier Bagnol
,
Ronan Bureau
,
Shoji Fukusumi
,
Riccarda Granata
et al.
Article dans une revue
hal-01972620v1
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Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution
Elke Haensele
,
Nawel Mele
,
Marija Miljak
,
Christopher Read
,
David Whitley
et al.
Article dans une revue
hal-02043740v1
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Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode
Jade Fogha
,
Bogdan Marekha
,
Marcella de Giorgi
,
Anne-Sophie Voisin-Chiret
,
Sylvain Rault
et al.
Article dans une revue
hal-02043710v1
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Acute toxicities of pharmaceuticals toward green algae. mode of action, biopharmaceutical drug disposition classification system and quantile regression models
Villain Jonathan
,
Latitia Minguez
,
Marie-Pierre Halm-Lemeille
,
Gilles Durrieu
,
Ronan Bureau
Article dans une revue
istex
hal-01262279v1
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A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors
Noureldin Saleh
,
Giorgio Saladino
,
Francesco Gervasio
,
Elke Haensele
,
Lee Banting
et al.
Article dans une revue
hal-02043755v1
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Protective effects of caffeic acid against hypothalamic neuropeptides alterations induced by malathion in rat
Raja Rezg
,
Bessem Mornagui
,
Jana Sopkova-de Oliveira Santos
,
Fabienne Dulin
,
Saloua El-Fazaa
et al.
Article dans une revue
hal-02045966v1
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Discovering structural alerts for mutagenicity using stable emerging molecular patterns
Jean-Philippe Metivier
,
Alban Lepailleur
,
Aleksey Buzmakov
,
Guillaume Poezevara
,
Bruno Crémilleux
et al.
Article dans une revue
hal-01186716v1
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First Evidence That Oligopyridines, α-Helix Foldamers, Inhibit Mcl-1 and Sensitize Ovarian Carcinoma Cells to Bcl-x L -Targeting Strategies
Céline Gloaguen
,
Anne-Sophie Voisin-Chiret
,
Jana Sopkova-de Oliveira Santos
,
Jade Fogha
,
Fabien Gautier
et al.
Article dans une revue
hal-02043913v1
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Quantile regression model for a diverse set of chemicals: Application to acute toxicity for green algae
Jonathan Villain
,
Gilles Durrieu
,
Ronan Bureau
,
Marie-Pierre Halm-Lemeille
,
Sylvain Lozano
Journal of Molecular Modeling, 2014, in press
Article dans une revue
hal-01074269v1
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Molecular basis of agonist docking in a human GPR103 homology model by site-directed mutagenesis and structure-activity relationship studies
Cindy Neveu
,
Fabienne Dulin
,
Benjamin Lefranc
,
Ludovic Galas
,
Colas Calbrix
et al.
Article dans une revue
hal-01973604v1
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Acute toxicity of 8 antidepressants: What are their modes of action?
Laetitia Minguez
,
Emilie Farcy
,
Céline Ballandonne
,
Alban Lepailleur
,
Antoine Serpentini
et al.
Article dans une revue
istex
hal-01800717v1
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Dual Histamine H3R/Serotonin 5-HT4R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology.
Alban Lepailleur
,
Thomas Freret
,
Stéphane Lemaître
,
Michel Boulouard
,
François Dauphin
et al.
Article dans une revue
hal-01064770v1
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The effect of different polychlorinated biphenyls on two aquatic models, the green alga Pseudokirchneriella subcapitata and the haemocytes from the European abalone Haliotis tuberculata
Marie-Pierre Halm-Lemeille
,
Abbaszadeh Fard Elham
,
Thomas Latire
,
Jean-Francois Ferard
,
Katherine Costil
et al.
Article dans une revue
istex
hal-01076671v1
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Protecting honey bees: identification of a new varroacide by in silico, in vitro, and in vivo studies
Fabienne Dulin
,
Céline Zatylny-Gaudin
,
Céline Ballandonne
,
Bertrand Guillet
,
Romain Bonafos
et al.
Article dans une revue
hal-01116481v1
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Assessment of cytotoxic and immunomodulatory properties of four antidepressants on primary cultures of abalone hemocytes (Haliotis tuberculata)
Laetitia Minguez
,
Marie-Pierre Halm-Lemeille
,
Katherine Costil
,
Ronan Bureau
,
Jean-Marc Lebel
et al.
Article dans une revue
hal-01800718v1
|
|
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Assessment of the genotoxic and carcinogenic potentials of 3-aminothiophene derivatives using in vitro and in silico methodologies
Alban Lepailleur
,
Ronan Bureau
,
Marie-Pierre Halm-Lemeille
,
Michel Bouquet
,
Regis Pecquet
et al.
Article dans une revue
istex
hal-01077085v1
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|
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Corrigendum to “Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors” [Ecotoxicol. Environ. Saf. 79 (2012) 13–21]
Fabienne Dulin
,
Marie-Pierre Halm-Lemeille
,
Sylvain Lozano
,
Alban Lepailleur
,
Jana Sopkova-de Oliveira Santos
et al.
Ecotoxicology and Environmental Safety, 2013, 90, pp.183-184
Article dans une revue
hal-02045963v1
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Automated detection of structural alerts (chemical fragments) in (eco)toxicology
Alban Lepailleur
,
Guillaume Poezevara
,
Ronan Bureau
Article dans une revue
hal-01023826v1
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|
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Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors
Fabienne Dulin
,
Marie-Pierre Halm-Lemeille
,
Sylvain Lozano
,
Alban Lepailleur
,
Jana Sopkova-de Oliveira Santos
et al.
Ecotoxicology and Environmental Safety, 2012, 79, pp.13-21
Article dans une revue
hal-00764808v1
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|
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Structural characterizations of oligopyridyl foldamers, α-helix mimetics
Jana Sopkova-de Oliveira Santos
,
Anne-Sophie Voisin-Chiret
,
Grégory Burzicki
,
Laure Sebaoun
,
Muriel Sebban
et al.
Article dans une revue
hal-00996400v1
|
|
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Consensus QSAR Related to Global or MOA Models: Application to Acute Toxicity for Fish
Sylvain Lozano
,
Marie-Pierre Halm-Lemeille
,
Alban Lepailleur
,
Sylvain Rault
,
Ronan Bureau
Article dans une revue
istex
hal-02045936v1
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|
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Prediction of acute toxicity in fish by using QSAR methods and chemical modes of action
Sylvain Lozano
,
Elodie Lescot
,
Marie-Pierre Halm
,
Alban Lepailleur
,
Ronan Bureau
et al.
Article dans une revue
hal-02045937v1
|
|
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Review of 5-HT4R ligands: state of art and clinical applications
Ronan Bureau
,
Michel Boulouard
,
François Dauphin
,
Frank Lezoualc'H
,
Sylvain Rault
Article dans une revue
hal-00863093v1
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|
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Introduction of jumping fragments in combination with QSARs for the assessment of classification in ecotoxicology
Sylvain Lozano
,
Guillaume Poezevara
,
Marie-Pierre Halm
,
Elodie Lescot-Fontaine
,
Alban Lepailleur
et al.
Article dans une revue
hal-01011322v1
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|
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Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library
Jana Sopkova-de Oliveira Santos
,
Aurélien Lesnard
,
Jean-Hugues Agondanou
,
Nathalie Dupont
,
Anne-Marie Godard
et al.
Article dans une revue
hal-00705935v1
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|
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Synthesis of a cytisine/epibatidine hybrid: a radical approach
Nicolas Houllier
,
Marie-Claire Lasne
,
Ronan Bureau
,
Pierre Lestage
,
Jacques Rouden
Article dans une revue
hal-02045914v1
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Receptor- and Ligand-Based Study on Novel 2,2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors
Alban Lepailleur
,
Stéphane Lemaître
,
Xiao Feng
,
Jana Sopkova-de Oliveira Santos
,
Philippe Delagrange
et al.
Article dans une revue
hal-02045919v1
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|
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Novel antagonists of serotonin-4 receptors: synthesis and biological evaluation of pyrrolothienopyrazines.
Stéphane Lemaître
,
Alban Lepailleur
,
Ronan Bureau
,
Sabrina Butt-Gueulle
,
Véronique Lelong-Boulouard
et al.
Article dans une revue
istex
hal-00863300v1
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|
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Toward Safer Thrombolytic Agents in Stroke: Molecular Requirements for NMDA Receptor-Mediated Neurotoxicity
Jose Lopez-Atalaya
,
Benoit Roussel
,
Denis Levrat
,
Jerome Parcq
,
Olivier Nicole
et al.
Article dans une revue
hal-01972984v1
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|
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Toward Safer Thrombolytic Agents in Stroke: Molecular Requirements for NMDA Receptor-Mediated Neurotoxicity
Jose Lopez-Atalaya
,
Benoit Roussel
,
Denis Levrat
,
Jérôme Parcq
,
Olivier Nicole
et al.
Article dans une revue
hal-05509935v1
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|
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3D Pharmacophore, hierarchical methods, and 5-HT4 receptor binding data.
Thibault Varin
,
Nicolas Saettel
,
Jonathan Villain
,
Aurélien Lesnard
,
François Dauphin
et al.
Article dans une revue
hal-00863343v1
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|
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Synthesis and Biological Evaluation of Thienopyrrolizines, a New Family of CDK/GSK-3 Inhibitors
Christophe Rochais
,
Elodie Lescot
,
Vincent Lisowski
,
Alban Lepailleur
,
Jana Sopkova-de Oliveira Santos
et al.
Article dans une revue
hal-05481708v1
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|
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Pharmacophores of 5-HT4 Receptor Ligands: Experience of CERMN and Implications for Drug Design
Ronan Bureau
,
Thibault Varin
,
Alban Lepailleur
,
Cyril Daveu
,
Stephane Lemaitre
et al.
Article dans une revue
hal-05481683v1
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|
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Synthesis of new dipyrrolo- and furopyrrolopyrazinones related to tripentones and their biological evaluation as potential kinases (CDKs1-5, GSK-3) inhibitors.
Christophe Rochais
,
Nghia Vu Duc
,
Elodie Lescot
,
Jana Sopkova-de Oliveira Santos
,
Ronan Bureau
et al.
Article dans une revue
hal-00319802v1
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|
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Novel aminoethylbiphenyls as 5-HT7 receptor ligands.
Magalie Paillet-Loilier
,
Frédéric Fabis
,
Alban Lepailleur
,
Ronan Bureau
,
Sabrina Butt-Gueulle
et al.
Article dans une revue
istex
hal-00865224v1
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|
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Definition of New Pharmacophores for Nonpeptide Antagonists of Human Urotensin-II. Comparison with the 3D-structure of Human Urotensin-II and URP
Elodie Lescot
,
Jana Sopkova-de Oliveira Santos
,
Christophe Dubessy
,
Hassan Oulyadi
,
Aurélien Lesnard
et al.
Article dans une revue
istex
hal-02179719v1
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|
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Molecular Modeling Studies Focused on 5-HT 7 versus 5-HT 1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT 7 Receptors
Alban Lepailleur
,
Ronan Bureau
,
Magalie Paillet-Loilier
,
Frédéric Fabis
,
Nicolas Saettel
et al.
Article dans une revue
istex
hal-05481695v1
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|
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Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands
Magalie Paillet-Loilier
,
Frédéric Fabis
,
Alban Lepailleur
,
Ronan Bureau
,
Sabrina Butt-Gueulle
et al.
Article dans une revue
hal-05481690v1
|
|
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Molecular Design Based on 3D Pharmacophores. Applications to 5-HT 7 Receptors
Alban Lepailleur
,
Ronan Bureau
,
Stéphane Lemaître
,
François Dauphin
,
Jean-Charles Lancelot
et al.
Journal of Chemical Information and Computer Sciences, 2004, 44 (3), pp.1148-1152. ⟨10.1021/ci030036l⟩
Article dans une revue
istex
hal-05481721v1
|