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New fluoxetine analogues as anti-enterovirus agents targeting 2C protein
Safeh Khemiri
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Marine Faucher
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Stephane Bourg
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Article dans une revue
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Spatio-temporal learning from molecular dynamics simulations for protein–ligand binding affinity prediction
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Prozac 2.0 : from antidepressant to antiviral
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Tetrahydropyridine LIMK inhibitors: Structure activity studies and biological characterization
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The Identification of New c-FLIP Inhibitors for Restoring Apoptosis in TRAIL-Resistant Cancer Cells
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Samia Aci-Sèche
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Highlighting the Major Role of Cyclin C in Cyclin-Dependent Kinase 8 Activity through Molecular Dynamics Simulations
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Pascal Bonnet
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Samia Aci-Sèche
Article dans une revue
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DESIGN, SYNTHESIS AND CHARACTERISATION OF A NOVEL TYPE II B-RAF PARADOX BREAKER INHIBITOR
Rohit Arora
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Samia Aci-Sèche
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Thomas Verheyen
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Erika van Heerde
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The Impact of Data on Structure-Based Binding Affinity Predictions Using Deep Neural Networks
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Jose Carlos Gómez-Tamayo
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Gary Tresadern
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Pascal Bonnet
Article dans une revue
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Design of ERK2 inhibitors for cancer therapy
Magdalena Mizerska-Kowalska
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Samia Aci-Seche
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Stéphane Bourg
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Elżbieta Łastawiecka
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Pascal Bonnet
Article dans une revue
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A perspective on the sharing of docking data
Samia Aci-Sèche
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Article dans une revue
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Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations
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Design and biological evaluation of substituted 5,7-dihydro-6 H -indolo[2,3- c ]quinolin-6-one as novel selective Haspin inhibitors
Sreenivas Avula
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Xudan Peng
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Xingfen Lang
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Micky Tortorella
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Béatrice Josselin
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Article dans une revue
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Design, Synthesis and SAR in 2,4,7-Trisubstituted Pyrido[3,2-d]Pyrimidine Series as Novel PI3K/mTOR Inhibitors
Frédéric Buron
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Nuno Rodrigues
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Thibault Saurat
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Article dans une revue
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Palladium‐Catalyzed Regioselective C−H Arylation of 4‐Azaindazole at C3, C5 and C7 Positions
Soukaina Faarasse
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Saïd El Kazzouli
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Otmane Bourzikat
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Samia Aci-Seche
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Article dans une revue
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Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites
Jade Fogha
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Julien Diharce
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Alan Obled
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Samia Aci-Seche
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Pascal Bonnet
Article dans une revue
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VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening
Jose-Manuel Gally
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Stéphane Bourg
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Jade Fogha
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Quoc-Tuan Do
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Samia Aci-Sèche
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Article dans une revue
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Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB
Colin Bournez
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Gautier Peyrat
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Samia Aci-Seche
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Stéphane Bourg
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Article dans une revue
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Identification of a new series of flavopiridol-like structures as kinase inhibitors with high cytotoxic potency
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Jean-Daniel Brion
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Jean-François Peyrat
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Jerome Bignon
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Article dans une revue
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Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions
Nicolas Bosc
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Laurent Hoffer
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Article dans une revue
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Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach
Adrien Raimbault
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Cam Mai Anh Ma
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Martina Ferri
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Stefanie Bäurer
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Pascal Bonnet
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Article dans une revue
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Design of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation
Jonathan Elie
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Omid Feizbakhsh
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Nathalie Desban
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Blandine Baratte
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Article dans une revue
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Hyphenation of ultra-high performance supercritical fluid chromatography with atmospheric pressure chemical ionisation high resolution mass spectrometry: Part 2. Study of chromatographic and mass spectrometry parameters for the analysis of natural non-polar compounds
Johanna Duval
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Cyril Colas
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Pascal Bonnet
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Eric Lesellier
Article dans une revue
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An original class of small sized molecules as versatile fluorescent probes for cellular imaging
Doina Sirbu
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Ivana Martinić
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Nicolas Chopin
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Svetlana Eliseeva
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Article dans une revue
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In silico peptide ligation: Iterative Residue Docking and Linking as a new approach to predict protein-peptide interactions
Julien Diharce
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Mickaël Cueto
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Massimiliano Beltramo
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Vincent Aucagne
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Pascal Bonnet
Article dans une revue
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Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations
Abdennour Braka
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Norbert Garnier
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Pascal Bonnet
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Samia Aci-Seche
Article dans une revue
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PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials
Fabrice Carles
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Stéphane Bourg
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Christophe Meyer
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Pascal Bonnet
Article dans une revue
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Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors
Bruno Oyallon
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Marie Brachet-Botineau
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Cédric Logé
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Pascal Bonnet
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Mohamed Souab
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Article dans une revue
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Enhanced molecular dynamics methods applied to drug design projects
Sonia Ziada
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Abdennour Braka
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Julien Diharce
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Samia Aci-Seche
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Pascal Bonnet
Article dans une revue
hal-01966502v1
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Synthesis of novel series of 7,7 '-(substituted methylene) bis-imidazo 1,2-b pyrazoles via an acid catalyzed one-pot three-component reaction
Mohsine Driowya
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Hassan Allouchi
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Jose Manuel Gally
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Pascal Bonnet
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Gérald Guillaumet
Article dans une revue
hal-02620165v1
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Development of Kinase Inhibitors via Metal-Catalyzed C–H Arylation of 8-Alkyl-thiazolo[5,4-f]-quinazolin-9-ones Designed by Fragment-Growing Studies
Florence Couly
,
Marine Harari
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Carole Dubouilh-Benard
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Laëtitia Bailly
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Emilie Petit
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Article dans une revue
hal-02024491v1
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PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials
Fabrice Carles
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Stéphane Bourg
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Christophe Meyer
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Pascal Bonnet
Article dans une revue
hal-04272950v1
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Comprehensive Network Map of ADME-Tox Databases
Baptiste Canault
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Stéphane Bourg
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Philippe Vayer
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Pascal Bonnet
Article dans une revue
hal-02904766v1
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VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening
José-Manuel Gally
,
Stéphane Bourg
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Quoc-Tuan Do
,
Samia Aci-Seche
,
Pascal Bonnet
Article dans une revue
hal-02904764v1
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Advanced molecular dynamics simulation methods for kinase drug discovery
Samia Aci-Seche
,
Sonia Ziada
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Abdennour Braka
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Rohit Arora
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Pascal Bonnet
Article dans une revue
hal-02494426v1
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30th Franco-Belgian conference of pharmacochemistry
Charlotte Bouckaert
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Eric Goffin
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Sebastien Dilly
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Julien Hanson
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Lionel Pochet
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Article dans une revue
hal-02141338v1
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Novel optimization of valmerins (tetrahydropyrido[1,2-a]isoindolones) as potent dual CDK5/GSK3 inhibitors
Aziz Ouach
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Rajâa Boulahjar
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Christine Vala
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Stéphane Bourg
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Pascal Bonnet
et al.
Article dans une revue
hal-01295635v1
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Iron-Catalyzed Trifluoromethylation of Enamide
Romain Rey-Rodriguez
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Pascal Retailleau
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Pascal Bonnet
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Isabelle Gillaizeau
Article dans une revue
istex
hal-01163306v1
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Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase
Ozkan Sari
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Vincent Roy
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Mathieu Métifiot
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Christophe Marchand
,
Yves Pommier
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Article dans une revue
hal-02904762v1
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Advances in tetrahydropyrido[1,2-a]isoindolone (valmerins) series: Potent glycogen synthase kinase 3 and cyclin dependent kinase 5 inhibitors.
Rajâa Boulahjar
,
Aziz Ouach
,
Stéphane Bourg
,
Pascal Bonnet
,
Olivier Lozach
et al.
Article dans une revue
hal-01212495v1
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Design, Synthesis, and Biological Activity of Pyridopyrimidine Scaffolds as Novel PI3K/mTOR Dual Inhibitors
Thibault Saurat
,
Frédéric Buron
,
Nuno Rodrigues
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Marie-Ludivine de Tauzia
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Lionel Colliandre
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Article dans une revue
hal-01180887v1
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Specific inhibition of DNMT1/CFP1 reduces cancer phenotypes and enhances chemotherapy effectiveness
Pierre-Francois Cartron
,
Mathilde Cheray
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Arulraj Nadaradjane
,
Pascal Bonnet
,
Sylvain Routier
et al.
Article dans une revue
inserm-02478615v1
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Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted Pyrido[3,2-d]pyrimidines as CDK5 and DYRK1A inhibitors
Oussama Dehbi
,
Abdellatif Tikad
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Stéphane Bourg
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Pascal Bonnet
,
Olivier Lozach
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Article dans une revue
hal-02904758v1
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Two-Step One-Pot Synthesis of Benzoannulated Spiroacetals by Suzuki–Miyaura Coupling/Acid-Catalyzed Spiroacetalization
Alexey N. Butkevich
,
Andrei Corbu
,
Lieven Meerpoel
,
Ian Stansfield
,
Patrick Angibaud
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Article dans une revue
hal-03102296v1
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Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase
João Neres
,
Pascal Bonnet
,
Philip N Edwards
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Pravin L Kotian
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Alejandro Buschiazzo
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Article dans une revue
istex
pasteur-02554109v1
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