In silico Lille

2025

6 publications

Characterization of the Regulatory AAA-ATPase Subunit Rpt3 in Plasmodium berghei as an Activator of Protein Phosphatase 1.

Claudianne Lainé, Caroline De Witte, Alain Martoriati, Amaury Farce, Inès Metatla, Ida Chiara Guerrera, Katia Cailliau, Jamal Khalife, Christine Pierrot

International journal of molecular sciences Vol. 26(23) December

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Discovery of Potent Acyl-CoA Synthetase Long-Chain Family Member 4 (ACSL4) Inhibitors with Antiferroptotic Properties.

Emeline Charnelle, Alexandre Gobert, Romain Marteau, Maëla Pautric, Nicolas Renault, Aurélie Jonneaux, Darius Mazhari Dorooee, Amélie Laversin, Jean-Christophe Devedjian, Patricia Melnyk, Saïd Yous, David Devos, Raphaël Frédérick, Séverine Ravez, Jamal El Bakali

Journal of medicinal chemistry Vol. 68(15) 15766-15784 August

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LIBX-A401: A Novel Selective Inhibitor of Acyl-CoA Synthetase Long Chain Family Member 4 (ACSL4) and Its Binding Mode.

Darius Mazhari Dorooee, Séverine Ravez, Didier Vertommen, Nicolas Renault, Nicolas Papadopoulos, Romain Marteau, Emeline Charnelle, Karine Porte, Alexandre Gobert, Nathalie Hennuyer, Gaetan Herinckx, Maëla Pautric, Aurélie Jonneaux, Jean Christophe Devedjian, David Devos, Bart Staels, Patricia Melnyk, Stefan N Constantinescu, Raphaël Frédérick, Jamal El Bakali

Angewandte Chemie (International ed. in English) Vol. 64(19) e202500518 May

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Identification of early genes in the pathophysiology of fibrotic interstitial lung disease in a new model of pulmonary fibrosis.

Nathan Hennion, Corentin Bedart, Léonie Vandomber, Frédéric Gottrand, Sarah Humez, Cécile Chenivesse, Jean-Luc Desseyn, Valérie Gouyer

Cellular and molecular life sciences : CMLS Vol. 82(1) 115 March

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Bicyclic N,S-Acetals Containing Fused Cysteine-Amide System as New Heterocyclic Class Targeting Human Farnesyltransferase (FTase-h).

Fanny Danton, Mohamed Othman, Ata Martin Lawson, Amaury Farce, Emmanuelle Lipka, Alina Ghinet, Ján Moncol, Abdelhabib Semlali, Adam Daïch

International journal of molecular sciences Vol. 26(4) February

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Characterization of the Active Enantiomer and Mapping of the Stereospecific Intermolecular Pattern of a Reference P2X7 Allosteric Antagonist.

Andrew McGown, Nicolas Renault, Amélie Barczyk, Jordan Nafie, Luciano Barluzzi, Daniel Guest, Graham J Tizzard, Simon J Coles, David Leach, Daniel von Emloh, Léa Sutton, Kiera Bailey, Lewis Edmunds, Barnaby W Greenland, Régis Millet, John Spencer, Xavier Dezitter

ACS pharmacology & translational science Vol. 8(2) 446-459 February

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2024

5 publications

Distinct binding hotspots for natural and synthetic agonists of FFA4 from in silico approaches.

Guillaume Patient, Corentin Bedart, Naim A Khan, Nicolas Renault, Amaury Farce

Molecular informatics Vol. 43(10) e202400046 October

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Deciphering the mechanisms involved in reduced sensitivity to azoles and fengycin lipopeptide in Venturia inaequalis.

Aline Leconte, Justine Jacquin, Matthieu Duban, Caroline Deweer, Pauline Trapet, Frédéric Laruelle, Amaury Farce, Philippe Compère, Karin Sahmer, Valentin Fiévet, Alexis Hoste, Ali Siah, Anissa Lounès-Hadj Sahraoui, Philippe Jacques, François Coutte, Magali Deleu, Jérôme Muchembled

Microbiological research Vol. 286 127816 September

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The Pan-Canadian Chemical Library: A Mechanism to Open Academic Chemistry to High-Throughput Virtual Screening.

Corentin Bedart, Grace Shimokura, Frederick G West, Tabitha E Wood, Robert A Batey, John J Irwin, Matthieu Schapira

Scientific data Vol. 11(1) 597 June

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Emerging structure-based computational methods to screen the exploding accessible chemical space.

Corentin Bedart, Conrad Veranso Simoben, Matthieu Schapira

Current opinion in structural biology Vol. 86 102812 June

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A molecular docking exploration of the large extracellular loop of tetraspanin CD81 with small molecules.

Christian Bailly, Corentin Bedart, Gérard Vergoten

In silico pharmacology Vol. 12(1) 24 January

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2023

2 publications

Characterization of GEXP15 as a Potential Regulator of Protein Phosphatase 1 in Plasmodium falciparum.

Hala Mansour, Alejandro Cabezas-Cruz, Véronique Peucelle, Amaury Farce, Sophie Salomé-Desnoulez, Ines Metatla, Ida Chiara Guerrera, Thomas Hollin, Jamal Khalife

International journal of molecular sciences Vol. 24(16) August

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Phenothiazine- and Carbazole-Cyanochalcones as Dual Inhibitors of Tubulin Polymerization and Human Farnesyltransferase.

Andreea Zubaș, Alina Ghinet, Amaury Farce, Joëlle Dubois, Elena Bîcu

Pharmaceuticals (Basel, Switzerland) Vol. 16(6) June

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2022

9 publications

Polycyclic nitrogen heterocycles as potential thymidine phosphorylase inhibitors: synthesis, biological evaluation, and molecular docking study.

Karen Aknin, Alexis Bontemps, Amaury Farce, Eric Merlet, Philippe Belmont, Philippe Helissey, Philippe Chavatte, Marie-Agnès Sari, Sylviane Giorgi-Renault, Stéphanie Desbène-Finck

Journal of enzyme inhibition and medicinal chemistry Vol. 37(1) 252-268 December

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High ligand efficiency quinazoline compounds as novel A2A adenosine receptor antagonists.

Raphaël Bolteau, Romain Duroux, Amélie Laversin, Brandon Vreulz, Anna Shiriaeva, Benjamin Stauch, Gye Won Han, Vadim Cherezov, Nicolas Renault, Amélie Barczyk, Séverine Ravez, Mathilde Coevoet, Patricia Melnyk, Maxime Liberelle, Saïd Yous

European journal of medicinal chemistry Vol. 241 114620 November

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Discovery of Compounds That Selectively Repress the Amyloidogenic Processing of the Amyloid Precursor Protein: Design, Synthesis and Pharmacological Evaluation of Diphenylpyrazoles.

Christophe Mesangeau, Pascal Carato, Nicolas Renault, Mathilde Coevoet, Paul-Emmanuel Larchanché, Amélie Barczyk, Luc Buée, Nicolas Sergeant, Patricia Melnyk

International journal of molecular sciences Vol. 23(21) October

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Functional genomics uncovers the transcription factor BNC2 as required for myofibroblastic activation in fibrosis.

Marie Bobowski-Gerard, Clémence Boulet, Francesco P Zummo, Julie Dubois-Chevalier, Céline Gheeraert, Mohamed Bou Saleh, Jean-Marc Strub, Amaury Farce, Maheul Ploton, Loïc Guille, Jimmy Vandel, Antonino Bongiovanni, Ninon Very, Eloïse Woitrain, Audrey Deprince, Fanny Lalloyer, Eric Bauge, Lise Ferri, Line-Carolle Ntandja-Wandji, Alexia K Cotte, Corinne Grangette, Emmanuelle Vallez, Sarah Cianférani, Violeta Raverdy, Robert Caiazzo, Viviane Gnemmi, Emmanuelle Leteurtre, Benoit Pourcet, Réjane Paumelle, Kim Ravnskjaer, Guillaume Lassailly, Joel T Haas, Philippe Mathurin, François Pattou, Laurent Dubuquoy, Bart Staels, Philippe Lefebvre, Jérôme Eeckhoute

Nature communications Vol. 13(1) 5324 September

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Melatonin drugs inhibit SARS-CoV-2 entry into the brain and virus-induced damage of cerebral small vessels.

Erika Cecon, Daniela Fernandois, Nicolas Renault, Caio Fernando Ferreira Coelho, Jan Wenzel, Corentin Bedart, Charlotte Izabelle, Sarah Gallet, Sophie Le Poder, Bernard Klonjkowski, Markus Schwaninger, Vincent Prevot, Julie Dam, Ralf Jockers

Cellular and molecular life sciences : CMLS Vol. 79(7) 361 June

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Pyrazolones as inhibitors of immune checkpoint blocking the PD-1/PD-L1 interaction.

Raphaël Le Biannic, Romain Magnez, Frédérique Klupsch, Natascha Leleu-Chavain, Bryan Thiroux, Morgane Tardy, Hassiba El Bouazzati, Xavier Dezitter, Nicolas Renault, Gérard Vergoten, Christian Bailly, Bruno Quesnel, Xavier Thuru, Régis Millet

European journal of medicinal chemistry Vol. 236 114343 June

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Toward the Design of Ligands Selective for the C-Terminal Domain of TEADs.

Maxime Liberelle, Florine Toulotte, Nicolas Renault, Muriel Gelin, Frédéric Allemand, Patricia Melnyk, Jean-François Guichou, Philippe Cotelle

Journal of medicinal chemistry Vol. 65(8) 5926-5940 April

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SINAPs: A Software Tool for Analysis and Visualization of Interaction Networks of Molecular Dynamics Simulations.

Corentin Bedart, Nicolas Renault, Philippe Chavatte, Adeline Porcherie, Abderrahim Lachgar, Monique Capron, Amaury Farce

Journal of chemical information and modeling Vol. 62(6) 1425-1436 March

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In vitro and in silico approach to study the hormonal activities of the alternative plasticizer tri-(2-ethylhexyl) trimellitate TEHTM and its metabolites.

Laurence Dahbi, Amaury Farce, Nicolas Kambia, Isabelle Séverin, Thierry Dine, Emmanuel Moreau, Valérie Sautou, Marie-Christine Chagnon

Archives of toxicology Vol. 96(3) 899-918 March

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2021

4 publications

The EGF Domains of MUC4 Oncomucin Mediate HER2 Binding Affinity and Promote Pancreatic Cancer Cell Tumorigenesis.

Nicolas Stoup, Maxime Liberelle, Céline Schulz, Sumeyye Cavdarli, Romain Vasseur, Romain Magnez, Fatima Lahdaoui, Nicolas Skrypek, Fabien Peretti, Frédéric Frénois, Xavier Thuru, Patricia Melnyk, Nicolas Renault, Nicolas Jonckheere, Nicolas Lebègue, Isabelle Van Seuningen

Cancers Vol. 13(22) November

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Combretastatin A-4 sulfur-containing heterocyclic derivatives: Synthesis, antiproliferative activities and molecular docking studies.

Abdelfattah Faouzi, Alexandre Arnaud, Alexandre Bancet, Caroline Barette, Jordane Preto, Cong Viet Do, Lars Petter Jordheim, Zineb Bousfiha, Thi Thanh Binh Nguyen, Marion Verrière, Amaury Farce, Marie-Odile Fauvarque, Roland Barret, Thierry Lomberget

European journal of medicinal chemistry Vol. 215 113275 April

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Comparative Effects of Di-(2-ethylhexyl)phthalate and Di-(2-ethylhexyl)terephthalate Metabolites on Thyroid Receptors: In Vitro and In Silico Studies.

Nicolas Kambia, Isabelle Séverin, Amaury Farce, Laurence Dahbi, Thierry Dine, Emmanuel Moreau, Valérie Sautou, Marie-Christine Chagnon

Metabolites Vol. 11(2) February

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A small-molecule P2RX7 activator promotes anti-tumor immune responses and sensitizes lung tumor to immunotherapy.

Laetitia Douguet, Serena Janho Dit Hreich, Jonathan Benzaquen, Laetitia Seguin, Thierry Juhel, Xavier Dezitter, Christophe Duranton, Bernhard Ryffel, Jean Kanellopoulos, Cecile Delarasse, Nicolas Renault, Christophe Furman, Germain Homerin, Chloé Féral, Julien Cherfils-Vicini, Régis Millet, Sahil Adriouch, Alina Ghinet, Paul Hofman, Valérie Vouret-Craviari

Nature communications Vol. 12(1) 653 January

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2020

4 publications

Indolizine-phenothiazine hybrids as the first dual inhibitors of tubulin polymerization and farnesyltransferase with synergistic antitumor activity.

Iuliana-Monica Moise, Elena Bîcu, Amaury Farce, Joëlle Dubois, Alina Ghinet

Bioorganic chemistry Vol. 103 104184 October

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Ultrasounds-mediated 10-seconds synthesis of chalcones as potential farnesyltransferase inhibitors.

Germain Homerin, Adrian Sorin Nica, Amaury Farce, Joëlle Dubois, Alina Ghinet

Bioorganic & medicinal chemistry letters Vol. 30(11) 127149 June

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Pyroglutamide-Based P2X7 Receptor Antagonists Targeting Inflammatory Bowel Disease.

Germain Homerin, Samir Jawhara, Xavier Dezitter, Davy Baudelet, Pierrick Dufrénoy, Benoît Rigo, Régis Millet, Christophe Furman, Guillaume Ragé, Emmanuelle Lipka, Amaury Farce, Nicolas Renault, Boualem Sendid, Rogatien Charlet, Jordan Leroy, Mélodie Phanithavong, Camille Richeval, Jean-François Wiart, Delphine Allorge, Sahil Adriouch, Valérie Vouret-Craviari, Alina Ghinet

Journal of medicinal chemistry Vol. 63(5) 2074-2094 March

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Enhanced antitumor potential induced by chloroacetate-loaded benzophenones acting as fused tubulin-pyruvate dehydrogenase kinase 1 (PDHK1) ligands.

Alina Ghinet, Xavier Thuru, Emilie Floquet, Joëlle Dubois, Amaury Farce, Benoît Rigo

Bioorganic chemistry Vol. 96 103643 March

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2019

5 publications

New piperazine multi-effect drugs prevent neurofibrillary degeneration and amyloid deposition, and preserve memory in animal models of Alzheimer's disease.

Nicolas Sergeant, Valérie Vingtdeux, Sabiha Eddarkaoui, Marion Gay, Caroline Evrard, Nicolas Le Fur, Cyril Laurent, Raphaelle Caillierez, Hélène Obriot, Paul-Emmanuel Larchanché, Amaury Farce, Mathilde Coevoet, Pascal Carato, Mostafa Kouach, Amandine Descat, Patrick Dallemagne, Valérie Buée-Scherrer, David Blum, Malika Hamdane, Luc Buée, Patricia Melnyk

Neurobiology of disease Vol. 129 217-233 September

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In vitro and in silico hormonal activity studies of di-(2-ethylhexyl)terephthalate, a di-(2-ethylhexyl)phthalate substitute used in medical devices, and its metabolites.

Nicolas K Kambia, Isabelle Séverin, Amaury Farce, Emmanuel Moreau, Laurence Dahbi, Claire Duval, Thierry Dine, Valérie Sautou, Marie-Christine Chagnon

Journal of applied toxicology : JAT Vol. 39(7) 1043-1056 July

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Exploring isoxazoles and pyrrolidinones decorated with the 4,6-dimethoxy-1,3,5-triazine unit as human farnesyltransferase inhibitors.

Liliana Lucescu, Alina Ghinet, Sergiu Shova, Romain Magnez, Xavier Thuru, Amaury Farce, Benoît Rigo, Dalila Belei, Joëlle Dubois, Elena Bîcu

Archiv der Pharmazie Vol. 352(5) e1800227 May

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Access to 3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species: a new family of potent farnesyltransferase inhibitors.

Anthony Pesquet, Hamid Marzag, Michael Knorr, Carsten Strohmann, Ata Martin Lawson, Alina Ghinet, Joëlle Dubois, Farce Amaury, Adam Daïch, Mohamed Othman

Organic & biomolecular chemistry Vol. 17(10) 2798-2808 March

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Benzo[d]thiazol-2(3H)-ones as new potent selective CB2 agonists with anti-inflammatory properties.

Natascha Leleu-Chavain, Davy Baudelet, Valéria Moas Heloire, Diana Escalante Rocha, Nicolas Renault, Amélie Barczyk, Madjid Djouina, Mathilde Body-Malapel, Pascal Carato, Régis Millet

European journal of medicinal chemistry Vol. 165 347-362 March

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2018

8 publications

Chlorinated and brominated bisphenol A derivatives: Synthesis, characterization and determination in water samples.

Manon Doumas, Steeve Rouillon, Nicolas Venisse, Cedric Nadeau, Pascale Pierre Eugene, Amaury Farce, Philippe Chavatte, Antoine Dupuis, Virginie Migeot, Pascal Carato

Chemosphere Vol. 213 434-442 December

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A phenotypic approach to the discovery of compounds that promote non-amyloidogenic processing of the amyloid precursor protein: Toward a new profile of indirect β-secretase inhibitors.

Marion Gay, Caroline Evrard, Florian Descamps, Pascal Carato, Nicolas Renault, Mathilde Coevoet, Sabiha Eddarkaoui, Catherine Baud, Paul-Emmanuel Larchanché, Luc Buée, Jamal El Bakali, Valérie Vingtdeux, Nicolas Sergeant, Patricia Melnyk

European journal of medicinal chemistry Vol. 159 104-125 November

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Importance of the second extracellular loop for melatonin MT1 receptor function and absence of melatonin binding in GPR50.

Nathalie Clement, Nicolas Renault, Jean-Luc Guillaume, Erika Cecon, Anne-Sophie Journé, Xavier Laurent, Kenjiro Tadagaki, Francis Cogé, Arnaud Gohier, Philippe Delagrange, Philippe Chavatte, Ralf Jockers

British journal of pharmacology Vol. 175(16) 3281-3297 August

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Design and synthesis of 2,6-disubstituted-8-amino imidazo[1,2a]pyridines, a promising privileged structure.

Rajaa Boulahjar, Angela Rincon Arias, Raphaël Bolteau, Nicolas Renault, Mathilde Coevoet, Amélie Barczyk, Romain Duroux, Saïd Yous, Patricia Melnyk, Laurence Agouridas

Bioorganic & medicinal chemistry Vol. 26(12) 3296-3307 July

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Toward the Discovery of a Novel Class of YAP⁻TEAD Interaction Inhibitors by Virtual Screening Approach Targeting YAP⁻TEAD Protein⁻Protein Interface.

Floriane Gibault, Mathilde Coevoet, Manon Sturbaut, Amaury Farce, Nicolas Renault, Frédéric Allemand, Jean-François Guichou, Anne-Sophie Drucbert, Catherine Foulon, Romain Magnez, Xavier Thuru, Matthieu Corvaisier, Guillemette Huet, Philippe Chavatte, Patricia Melnyk, Fabrice Bailly, Philippe Cotelle

Cancers Vol. 10(5) May

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New phenylaniline derivatives as modulators of amyloid protein precursor metabolism.

Marion Gay, Pascal Carato, Mathilde Coevoet, Nicolas Renault, Paul-Emmanuel Larchanché, Amélie Barczyk, Saïd Yous, Luc Buée, Nicolas Sergeant, Patricia Melnyk

Bioorganic & medicinal chemistry Vol. 26(8) 2151-2164 May

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Synthesis and biological evaluation of ferrocene-based cannabinoid receptor 2 ligands.

Supojjanee Sansook, Wei Tuo, Mélanie Bollier, Amélie Barczyk, Xavier Dezitter, Fredérique Klupsch, Natascha Leleu-Chavain, Amaury Farce, Graham J Tizzard, Simon J Coles, John Spencer, Régis Millet

Future medicinal chemistry Vol. 10(6) 631-638 March

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Antagonists of the adenosine A2A receptor based on a 2-arylbenzoxazole scaffold: Investigation of the C5- and C7-positions to enhance affinity.

Romain Duroux, Laurence Agouridas, Nicolas Renault, Jamal El Bakali, Christophe Furman, Patricia Melnyk, Saïd Yous

European journal of medicinal chemistry Vol. 144 151-163 January

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2017

4 publications

Design, synthesis and evaluation of 2-aryl benzoxazoles as promising hit for the A2A receptor.

Romain Duroux, Nicolas Renault, Joana Esteves Cuelho, Laurence Agouridas, David Blum, Luisa V Lopes, Patricia Melnyk, Saïd Yous

Journal of enzyme inhibition and medicinal chemistry Vol. 32(1) 850-864 December

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Controlling Plasma Stability of Hydroxamic Acids: A MedChem Toolbox.

Paul Hermant, Damien Bosc, Catherine Piveteau, Ronan Gealageas, BaoVy Lam, Cyril Ronco, Matthieu Roignant, Hasina Tolojanahary, Ludovic Jean, Pierre-Yves Renard, Mohamed Lemdani, Marilyne Bourotte, Adrien Herledan, Corentin Bedart, Alexandre Biela, Florence Leroux, Benoit Deprez, Rebecca Deprez-Poulain

Journal of medicinal chemistry Vol. 60(21) 9067-9089 November

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On the discovery of new potent human farnesyltransferase inhibitors: emerging pyroglutamic derivatives.

Germain Homerin, Emmanuelle Lipka, Benoît Rigo, Amaury Farce, Joëlle Dubois, Alina Ghinet

Organic & biomolecular chemistry Vol. 15(38) 8110-8118 October

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Anti-diabetic activity of fused PPARγ-SIRT1 ligands with limited body-weight gain by mimicking calorie restriction and decreasing SGK1 expression.

Celine Pirat, Catherine Dacquet, Veronique Leclerc, Nathalie Hennuyer, Monique Beucher-Gaudin, Ghislaine Zanirato, Anne Géant, Bart Staels, Alain Ktorza, Amaury Farce, Daniel-Henri Caignard, Pascal Berthelot, Nicolas Lebegue

European journal of medicinal chemistry Vol. 137 310-326 September

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2016

9 publications

Methylene versus carbonyl bridge in the structure of new tubulin polymerization inhibitors with tricyclic A-rings.

Iuliana-Monica Moise, Elena Bîcu, Joëlle Dubois, Amaury Farce, Benoît Rigo, Alina Ghinet

Bioorganic & medicinal chemistry Vol. 24(22) 6021-6030 November

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Synthesis and Biological Evaluation of N-[2-(4-Hydroxyphenylamino)-pyridin-3-yl]-4-methoxy-benzenesulfonamide (ABT-751) Tricyclic Analogues as Antimitotic and Antivascular Agents with Potent in Vivo Antitumor Activity.

Zacharie Segaoula, Julien Leclercq, Valérie Verones, Nathalie Flouquet, Marie Lecoeur, Lionel Ach, Nicolas Renault, Amélie Barczyk, Patricia Melnyk, Pascal Berthelot, Xavier Thuru, Nicolas Lebegue

Journal of medicinal chemistry Vol. 59(18) 8422-40 September

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Update on melatonin receptors: IUPHAR Review 20.

Ralf Jockers, Philippe Delagrange, Margarita L Dubocovich, Regina P Markus, Nicolas Renault, Gianluca Tosini, Erika Cecon, Darius P Zlotos

British journal of pharmacology Vol. 173(18) 2702-25 September

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New indolizine-chalcones as potent inhibitors of human farnesyltransferase: Design, synthesis and biological evaluation.

Iuliana-Monica Moise, Alina Ghinet, Dalila Belei, Joëlle Dubois, Amaury Farce, Elena Bîcu

Bioorganic & medicinal chemistry letters Vol. 26(15) 3730-4 August

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Synthesis of triazoloquinazolinone based compounds as tubulin polymerization inhibitors and vascular disrupting agents.

Mohsine Driowya, Julien Leclercq, Valerie Verones, Amélie Barczyk, Marie Lecoeur, Nicolas Renault, Nathalie Flouquet, Alina Ghinet, Pascal Berthelot, Nicolas Lebegue

European journal of medicinal chemistry Vol. 115 393-405 June

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Design, synthesis and biological evaluation of potent FAAH inhibitors.

Wei Tuo, Natascha Leleu-Chavain, Amélie Barczyk, Nicolas Renault, Lucas Lemaire, Philippe Chavatte, Régis Millet

Bioorganic & medicinal chemistry letters Vol. 26(11) 2701-5 June

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Studies on phenothiazines: New microtubule-interacting compounds with phenothiazine A-ring as potent antineoplastic agents.

Alina Ghinet, Iuliana-Monica Moise, Benoît Rigo, Germain Homerin, Amaury Farce, Joëlle Dubois, Elena Bîcu

Bioorganic & medicinal chemistry Vol. 24(10) 2307-17 May

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Docking study: PPARs interaction with the selected alternative plasticizers to di(2-ethylhexyl) phthalate.

Nicolas Kambia, Amaury Farce, Karim Belarbi, Bernard Gressier, Michel Luyckx, Philippe Chavatte, Thierry Dine

Journal of enzyme inhibition and medicinal chemistry Vol. 31(3) 448-55 January

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Synthesis and biological evaluation of thiophene and benzo[b]thiophene analogs of combretastatin A-4 and isocombretastatin A-4: A comparison between the linkage positions of the 3,4,5-trimethoxystyrene unit.

Cong Viet Do, Abdelfattah Faouzi, Caroline Barette, Amaury Farce, Marie-Odile Fauvarque, Evelyne Colomb, Laura Catry, Odile Berthier-Vergnes, Marek Haftek, Roland Barret, Thierry Lomberget

Bioorganic & medicinal chemistry letters Vol. 26(1) 174-80 January

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2015

4 publications

Design and synthesis of fused tetrahydroisoquinoline-iminoimidazolines.

Valeria Moas-Héloire, Nicolas Renault, Vania Batalha, Angela Rincon Arias, Mathieu Marchivie, Said Yous, Noémie Deguine, Luc Buée, Philippe Chavatte, David Blum, Luisa Lopes, Patricia Melnyk, Laurence Agouridas

European journal of medicinal chemistry Vol. 106 15-25 December

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Phenothiazine-based CaaX competitive inhibitors of human farnesyltransferase bearing a cysteine, methionine, serine or valine moiety as a new family of antitumoral compounds.

Gina-Mirabela Dumitriu, Elena Bîcu, Dalila Belei, Benoît Rigo, Joëlle Dubois, Amaury Farce, Alina Ghinet

Bioorganic & medicinal chemistry letters Vol. 25(20) 4447-52 October

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Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis.

Jamal El Bakali, Giulio G Muccioli, Mathilde Body-Malapel, Madjid Djouina, Frédérique Klupsch, Alina Ghinet, Amélie Barczyk, Nicolas Renault, Philippe Chavatte, Pierre Desreumaux, Didier M Lambert, Régis Millet

ACS medicinal chemistry letters Vol. 6(2) 198-203 February

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Studies on indolizines. Evaluation of their biological properties as microtubule-interacting agents and as melanoma targeting compounds.

Alina Ghinet, Cristina-Maria Abuhaie, Philippe Gautret, Benoît Rigo, Joëlle Dubois, Amaury Farce, Dalila Belei, Elena Bîcu

European journal of medicinal chemistry Vol. 89 115-27 January

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2014

4 publications

Novel indolizine derivatives with unprecedented inhibitory activity on human farnesyltransferase.

Carmen Dumea, Dalila Belei, Alina Ghinet, Joëlle Dubois, Amaury Farce, Elena Bîcu

Bioorganic & medicinal chemistry letters Vol. 24(24) 5777-5781 December

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Relationships between Th1 or Th2 iNKT cell activity and structures of CD1d-antigen complexes: meta-analysis of CD1d-glycolipids dynamics simulations.

Xavier Laurent, Nicolas Renault, Amaury Farce, Philippe Chavatte, Eric Hénon

PLoS computational biology Vol. 10(11) e1003902 November

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Peptide chemistry applied to a new family of phenothiazine-containing inhibitors of human farnesyltransferase.

Gina-Mirabela Dumitriu, Alina Ghinet, Elena Bîcu, Benoît Rigo, Joëlle Dubois, Amaury Farce, Dalila Belei

Bioorganic & medicinal chemistry letters Vol. 24(14) 3180-5 July

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Switching invariant natural killer T (iNKT) cell response from anticancerous to anti-inflammatory effect: molecular bases.

Xavier Laurent, Benjamin Bertin, Nicolas Renault, Amaury Farce, Silvia Speca, Ophélie Milhomme, Régis Millet, Pierre Desreumaux, Eric Hénon, Philippe Chavatte

Journal of medicinal chemistry Vol. 57(13) 5489-508 July

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2013

8 publications

Synthesis and biological evaluation of a new series of N-ylides as protein farnesyltransferase inhibitors.

Cristina-Maria Abuhaie, Alina Ghinet, Amaury Farce, Joëlle Dubois, Benoît Rigo, Elena Bîcu

Bioorganic & medicinal chemistry letters Vol. 23(21) 5887-92 November

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3-Carboxamido-5-aryl-isoxazoles as new CB2 agonists for the treatment of colitis.

Aurélien Tourteau, Virginie Andrzejak, Mathilde Body-Malapel, Lucas Lemaire, Amélie Lemoine, Roxane Mansouri, Madjid Djouina, Nicolas Renault, Jamal El Bakali, Pierre Desreumaux, Giulio G Muccioli, Didier M Lambert, Philippe Chavatte, Benoît Rigo, Natascha Leleu-Chavain, Régis Millet

Bioorganic & medicinal chemistry Vol. 21(17) 5383-94 September

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Minireview: Toward the establishment of a link between melatonin and glucose homeostasis: association of melatonin MT2 receptor variants with type 2 diabetes.

Angeliki Karamitri, Nicolas Renault, Nathalie Clement, Jean-Luc Guillaume, Ralf Jockers

Molecular endocrinology (Baltimore, Md.) Vol. 27(8) 1217-33 August

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Synthesis and biological evaluation of fluoro analogues of antimitotic phenstatin.

Alina Ghinet, Aurélien Tourteau, Benoît Rigo, Vivien Stocker, Marie Leman, Amaury Farce, Joëlle Dubois, Philippe Gautret

Bioorganic & medicinal chemistry Vol. 21(11) 2932-40 June

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Virtual screening of CB(2) receptor agonists from bayesian network and high-throughput docking: structural insights into agonist-modulated GPCR features.

Nicolas Renault, Xavier Laurent, Amaury Farce, Jamal El Bakali, Roxane Mansouri, Philippe Gervois, Régis Millet, Pierre Desreumaux, Christophe Furman, Philippe Chavatte

Chemical biology & drug design Vol. 81(4) 442-54 April

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Synthesis and anticancer activity of analogues of phenstatin, with a phenothiazine A-ring, as a new class of microtubule-targeting agents.

Cristina-Maria Abuhaie, Elena Bîcu, Benoît Rigo, Philippe Gautret, Dalila Belei, Amaury Farce, Joëlle Dubois, Alina Ghinet

Bioorganic & medicinal chemistry letters Vol. 23(1) 147-52 January

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Synthesis, antiproliferative activity and tubulin targeting effect of acridinone and dioxophenothiazine derivatives.

Valérie Verones, Nathalie Flouquet, Marie Lecoeur, Amelie Lemoine, Amaury Farce, Brigitte Baldeyrou, Christine Mahieu, Nicole Wattez, Amélie Lansiaux, Jean-François Goossens, Pascal Berthelot, Nicolas Lebegue

European journal of medicinal chemistry Vol. 59 39-47 January

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Synthesis and biological evaluation of a new series of phenothiazine-containing protein farnesyltransferase inhibitors.

Cristina-Maria Abuhaie, Alina Ghinet, Amaury Farce, Joëlle Dubois, Philippe Gautret, Benoît Rigo, Dalila Belei, Elena Bîcu

European journal of medicinal chemistry Vol. 59 101-10 January

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2012

7 publications

Effect of oxime ether incorporation in acyl indole derivatives on PPAR subtype selectivity.

Morgan Le Naour, Veronique Leclerc, Amaury Farce, Daniel-Henri Caignard, Nathalie Hennuyer, Bart Staels, Valérie Audinot-Bouchez, Jean-Albert Boutin, Michel Lonchampt, Catherine Dacquet, Alain Ktorza, Pascal Berthelot, Nicolas Lebegue

ChemMedChem Vol. 7(12) 2179-93 December

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Synthesis and biological evaluation of new phenothiazine derivatives bearing a pyrazole unit as protein farnesyltransferase inhibitors.

Lavinia Baciu-Atudosie, Alina Ghinet, Amaury Farce, Joëlle Dubois, Dalila Belei, Elena Bîcu

Bioorganic & medicinal chemistry letters Vol. 22(22) 6896-902 November

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Antioxidant activity of new benzo[de]quinolines and lactams: 2D-quantitative structure-activity relationships.

Alina Ghinet, Amaury Farce, Souhila Oudir, Jean Pommery, Joseph Vamecq, Jean-Pierre Henichart, Benoît Rigo, Philippe Gautret

Medicinal chemistry (Shariqah (United Arab Emirates)) Vol. 8(5) 942-6 September

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Mixed metallic Ba(Co,Fe)X(0.2)O(3-δ) (X = F, Cl) hexagonal perovskites: drastic effect of Fe-incorporation on structural and electronic features.

Mihaela Iorgulescu, Pascal Roussel, Nathalie Tancret, Nicolas Renault, Florence Porcher, Gilles André, Houria Kabbour, Olivier Mentré

Inorganic chemistry Vol. 51(14) 7598-608 July

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New farnesyltransferase inhibitors in the phenothiazine series.

Dalila Belei, Carmen Dumea, Alexandrina Samson, Amaury Farce, Joëlle Dubois, Elena Bîcu, Alina Ghinet

Bioorganic & medicinal chemistry letters Vol. 22(14) 4517-22 July

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Targeting peroxisome proliferator-activated receptors (PPARs): development of modulators.

Céline Pirat, Amaury Farce, Nicolas Lebègue, Nicolas Renault, Christophe Furman, Régis Millet, Saïd Yous, Silvia Speca, Pascal Berthelot, Pierre Desreumaux, Philippe Chavatte

Journal of medicinal chemistry Vol. 55(9) 4027-61 May

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Synthesis and structure-activity relationships of (aryloxy)quinazoline ureas as novel, potent, and selective vascular endothelial growth factor receptor-2 inhibitors.

Antonio Garofalo, Amaury Farce, Séverine Ravez, Amélie Lemoine, Perrine Six, Philippe Chavatte, Laurence Goossens, Patrick Depreux

Journal of medicinal chemistry Vol. 55(3) 1189-204 February

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2011

6 publications

Genetic polymorphism of CYP4A11 and CYP4A22 genes and in silico insights from comparative 3D modelling in a French population.

Christian L Lino Cardenas, Nicolas Renault, Amaury Farce, Christelle Cauffiez, Delphine Allorge, Jean-Marc Lo-Guidice, Michel Lhermitte, Philippe Chavatte, Franck Broly, Dany Chevalier

Gene Vol. 487(1) 10-20 November

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In vitro metabolism of phenstatin: potential pharmacological consequences.

Delphine Le Broc-Ryckewaert, Nicole Pommery, Jean Pommery, Alina Ghinet, Amaury Farce, Jean-François Wiart, Philippe Gautret, Benoît Rigo, Jean-Pierre Hénichart

Drug metabolism letters Vol. 5(3) 209-15 August

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New FAAH inhibitors based on 3-carboxamido-5-aryl-isoxazole scaffold that protect against experimental colitis.

Virginie Andrzejak, Giulio G Muccioli, Mathilde Body-Malapel, Jamal El Bakali, Madjid Djouina, Nicolas Renault, Philippe Chavatte, Pierre Desreumaux, Didier M Lambert, Régis Millet

Bioorganic & medicinal chemistry Vol. 19(12) 3777-86 June

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Design and synthesis of naphthalenic derivatives as new ligands at the melatonin binding site MT3.

Véronique Leclerc, Mohamed Ettaoussi, Marouan Rami, Amaury Farce, Jean Albert Boutin, Philippe Delagrange, Daniel-Henri Caignard, Pierre Renard, Pascal Berthelot, Saïd Yous

European journal of medicinal chemistry Vol. 46(5) 1622-9 May

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Impact of aryloxy-linked quinazolines: a novel series of selective VEGFR-2 receptor tyrosine kinase inhibitors.

Antonio Garofalo, Laurence Goossens, Perrine Six, Amélie Lemoine, Séverine Ravez, Amaury Farce, Patrick Depreux

Bioorganic & medicinal chemistry letters Vol. 21(7) 2106-12 April

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Potent farnesyltransferase inhibitors with 1,4-diazepane scaffolds as novel destabilizing microtubule agents in hormone-resistant prostate cancer.

Nicolas Wlodarczyk, Delphine Le Broc-Ryckewaert, Pauline Gilleron, Amélie Lemoine, Amaury Farce, Philippe Chavatte, Joëlle Dubois, Nicole Pommery, Jean-Pierre Hénichart, Christophe Furman, Régis Millet

Journal of medicinal chemistry Vol. 54(5) 1178-90 March

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2010

5 publications

Synthesis, biological evaluation and docking studies of 4-amino-tetrahydroquinazolino[3,2-e]purine derivatives.

Valerie Verones, Nathalie Flouquet, Amaury Farce, Pascal Carato, Stephane Leonce, Bruno Pfeiffer, Pascal Berthelot, Nicolas Lebegue

European journal of medicinal chemistry Vol. 45(12) 5678-84 December

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4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands: structural insights into the design of a novel inverse agonist series.

Jamal El Bakali, Giulio G Muccioli, Nicolas Renault, Delphine Pradal, Mathilde Body-Malapel, Madjid Djouina, Laurie Hamtiaux, Virginie Andrzejak, Pierre Desreumaux, Philippe Chavatte, Didier M Lambert, Régis Millet

Journal of medicinal chemistry Vol. 53(22) 7918-31 November

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Novel structural insights for drug design of selective 5-HT(2C) inverse agonists from a ligand-biased receptor model.

Nicolas Renault, Arnaud Gohier, Philippe Chavatte, Amaury Farce

European journal of medicinal chemistry Vol. 45(11) 5086-99 November

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Quinazoline-urea, new protein kinase inhibitors in treatment of prostate cancer.

Antonio Garofalo, Laurence Goossens, Amelie Lemoine, Amaury Farce, Yannick Arlot, Patrick Depreux

Journal of enzyme inhibition and medicinal chemistry Vol. 25(2) 158-71 April

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Mutations in components of complement influence the outcome of Factor I-associated atypical hemolytic uremic syndrome.

Frank Bienaime, Marie-Agnes Dragon-Durey, Catherine H Regnier, Sara C Nilsson, Wing H Kwan, Jacques Blouin, Mathieu Jablonski, Nicolas Renault, Marie-Anne Rameix-Welti, Chantal Loirat, Catherine Sautés-Fridman, Bruno O Villoutreix, Anna M Blom, Veronique Fremeaux-Bacchi

Kidney international Vol. 77(4) 339-49 February

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2009

2 publications

2,6-Diphenylthiazolo[3,2-b][1,2,4]triazoles as telomeric G-quadruplex stabilizers.

Jamal El Bakali, Frédérique Klupsch, Aurore Guédin, Bertrand Brassart, Gaëlle Fontaine, Amaury Farce, Pascal Roussel, Raymond Houssin, Jean-Luc Bernier, Philippe Chavatte, Jean-Louis Mergny, Jean-François Riou, Jean-Pierre Hénichart

Bioorganic & medicinal chemistry letters Vol. 19(13) 3434-8 July

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Genetic, molecular and functional analyses of complement factor I deficiency.

Sara C Nilsson, Leendert A Trouw, Nicolas Renault, Maria A Miteva, Ferah Genel, Marta Zelazko, Hanne Marquart, Klaus Muller, Anders G Sjöholm, Lennart Truedsson, Bruno O Villoutreix, Anna M Blom

European journal of immunology Vol. 39(1) 310-23 January

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2008

2 publications

Molecular modelling of phthalates - PPARs interactions.

Nicolas Kambia, Nicolas Renault, Sebastien Dilly, Amaury Farce, Thierry Dine, Bernard Gressier, Michel Luyckx, Claude Brunet, Philippe Chavatte

Journal of enzyme inhibition and medicinal chemistry Vol. 23(5) 611-6 October

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Homology modeling of MT1 and MT2 receptors.

Amaury Farce, Anton O Chugunov, Cédric Logé, Ahmed Sabaouni, Saïd Yous, Sébastien Dilly, Nicolas Renault, Gérard Vergoten, Roman G Efremov, Daniel Lesieur, Philippe Chavatte

European journal of medicinal chemistry Vol. 43(9) 1926-44 September

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2007

5 publications

Synthesis and radioligand binding studies of bis-isoquinolinium derivatives as small conductance Ca(2+)-activated K(+) channel blockers.

Amaury Graulich, Sébastien Dilly, Amaury Farce, Jacqueline Scuvée-Moreau, Olivier Waroux, Cédric Lamy, Philippe Chavatte, Vincent Seutin, Jean-François Liégeois

Journal of medicinal chemistry Vol. 50(21) 5070-5 October

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Design, synthesis and biological evaluation of substituted dioxodibenzothiazepines and dibenzocycloheptanes as farnesyltransferase inhibitors.

Pauline Gilleron, Nicolas Wlodarczyk, Raymond Houssin, Amaury Farce, Guillaume Laconde, Jean-François Goossens, Amélie Lemoine, Nicole Pommery, Jean-Pierre Hénichart, Régis Millet

Bioorganic & medicinal chemistry letters Vol. 17(19) 5465-71 October

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Quantitative structure-activity relationships studies of antioxidant hexahydropyridoindoles and flavonoid derivatives.

Anne-Catherine Durand, Amaury Farce, Pascal Carato, Sebastien Dilly, Said Yous, Pascal Berthelot, Philippe Chavatte

Journal of enzyme inhibition and medicinal chemistry Vol. 22(5) 556-62 October

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Free resources to assist structure-based virtual ligand screening experiments.

Bruno O Villoutreix, Nicolas Renault, David Lagorce, Olivier Sperandio, Matthieu Montes, Maria A Miteva

Current protein & peptide science Vol. 8(4) 381-411 August

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Derivatives of Iressa, a specific epidermal growth factor receptor inhibitor, are powerful apoptosis inducers in PC3 prostatic cancer cells.

Aurélie Telliez, Matthieu Desroses, Nicole Pommery, Olivier Briand, Amaury Farce, Guillaume Laconde, Amélie Lemoine, Patrick Depreux, Jean-Pierre Hénichart

ChemMedChem Vol. 2(3) 318-32 March

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2006

6 publications

Novel 1,3-dicarbonyl compounds having 2(3H)-benzazolonic heterocycles as PPARgamma agonists.

Elodie Blanc-Delmas, Nicolas Lebegue, Valérie Wallez, Véronique Leclerc, Saïd Yous, Pascal Carato, Amaury Farce, Caroline Bennejean, Pierre Renard, Daniel-Henri Caignard, Valérie Audinot-Bouchez, Pascale Chomarat, Jean Boutin, Nathalie Hennuyer, Katie Louche, Maria Carmen Carmona, Bart Staels, Luc Pénicaud, Louis Casteilla, Michel Lonchampt, Catherine Dacquet, Philippe Chavatte, Pascal Berthelot, Daniel Lesieur

Bioorganic & medicinal chemistry Vol. 14(22) 7377-91 November

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Differences in binding sites of two melatonin receptors help to explain their selectivity to some melatonin analogs: a molecular modeling study.

Anton O Chugunov, Amaury Farce, Philippe Chavatte, Roman G Efremov

Journal of biomolecular structure & dynamics Vol. 24(2) 91-107 October

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Homology modelling of the serotoninergic 5-HT2c receptor.

Amaury Farce, Sebastien Dilly, Said Yous, Pascal Berthelot, Philippe Chavatte

Journal of enzyme inhibition and medicinal chemistry Vol. 21(3) 285-92 June

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A computational view of COX-2 inhibition.

Philippe Chavatte, Amaury Farce

Anti-cancer agents in medicinal chemistry Vol. 6(3) 239-49 May

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Synthesis of a novel conformationally restricted Val-Phe dipeptidomimetic.

Pauline Gilleron, Régis Millet, Juozas Domarkas, Amaury Farce, Raymond Houssin, Jean-Pierre Hénichart

Journal of peptide science : an official publication of the European Peptide Society Vol. 12(2) 140-6 February

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Novel 4-oxo-1,4-dihydroquinoline-3-carboxamide derivatives as new CB2 cannabinoid receptors agonists: synthesis, pharmacological properties and molecular modeling.

Eric Stern, Giulio G Muccioli, Régis Millet, Jean-François Goossens, Amaury Farce, Philippe Chavatte, Jacques H Poupaert, Didier M Lambert, Patrick Depreux, Jean-Pierre Hénichart

Journal of medicinal chemistry Vol. 49(1) 70-9 January

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2005

2 publications

Identification of a pharmacophore of SKCa channel blockers.

Sebastien Dilly, Amaury Graulich, Amaury Farce, Vincent Seutin, Jean-Francois Liegeois, Philippe Chavatte

Journal of enzyme inhibition and medicinal chemistry Vol. 20(6) 517-23 December

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Intestinal antiinflammatory effect of 5-aminosalicylic acid is dependent on peroxisome proliferator-activated receptor-gamma.

Christel Rousseaux, Bruno Lefebvre, Laurent Dubuquoy, Philippe Lefebvre, Olivier Romano, Johan Auwerx, Daniel Metzger, Walter Wahli, Béatrice Desvergne, Gian Carlo Naccari, Philippe Chavatte, Amaury Farce, Philippe Bulois, Antoine Cortot, Jean Frédéric Colombel, Pierre Desreumaux

The Journal of experimental medicine Vol. 201(8) 1205-15 April

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2004

1 publication

Docking study of ligands into the colchicine binding site of tubulin.

Amaury Farce, Cedric Loge, Sebastien Gallet, Nicolas Lebegue, Pascal Carato, Philippe Chavatte, Pascal Berthelot, Daniel Lesieur

Journal of enzyme inhibition and medicinal chemistry Vol. 19(6) 541-7 December

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