P. Bonnet

发表

Structural investigation of B-Raf paradox breaker and inducer inhibitors.

Lennart Martens, Edgar Jacoby, Kris Gevaert, 2015, Journal of medicinal chemistry.

Advanced molecular dynamics simulation methods for kinase drug discovery.

R. Arora, P. Bonnet, Samia Aci-Sèche, 2016, Future medicinal chemistry.

New QSAR Models for Human Cytochromes P450, 1A2, 2D6 and 3A4 Implicated in the Metabolism of Drugs. Relevance of Dataset on Model Development.

P. Vayer, P. Bonnet, Sylvain Lozano, 2013, Molecular informatics.

Limited Proteolysis Combined with Stable Isotope Labeling Reveals Conformational Changes in Protein (Pseudo)kinases upon Binding Small Molecules.

E. Jacoby, R. Zubarev, K. Gevaert, 2015, Journal of proteome research.

Design of new disubstituted imidazo[1,2-b]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation

S. Knapp, P. Bonnet, A. Chaikuad, 2020, Journal of enzyme inhibition and medicinal chemistry.

Molecular dynamics and free energy analysis of neuraminidase–ligand interactions

Pascal Bonnet, Richard A Bryce, P. Bonnet, 2004, Protein science : a publication of the Protein Society.

Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemists.

Pascal Bonnet, P. Bonnet, 2012, European journal of medicinal chemistry.

Synthesis of novel series of 7,7′-(substituted methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot three-component reaction

P. Bonnet, G. Guillaumet, Mohsine Driowya, 2018 .

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

L. Meijer, P. Bonnet, Corinne Fruit, 2018, Molecules.

Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites

P. Bonnet, Samia Aci-Sèche, J. Diharce, 2020, ACS omega.

Equipping Coiled-Coil Peptide Dimers With Furan Warheads Reveals Novel Cross-Link Partners

P. Bonnet, A. Madder, J. Diharce, 2022, Frontiers in Chemistry.

Iron-catalyzed trifluoromethylation of enamide.

P. Bonnet, P. Retailleau, I. Gillaizeau, 2015, Chemistry.

Palladium‐Catalyzed Regioselective C−H Arylation of 4‐Azaindazole at C3, C5 and C7 Positions

P. Bonnet, Samia Aci-Sèche, S. E. Kazzouli, 2021 .

Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase.

F. Sommen, A. Sharff, V. Berdini, 2015, ACS medicinal chemistry letters.

The Azaindole Framework in the Design of Kinase Inhibitors

P. Bonnet, S. Routier, F. Buron, 2014, Molecules.

Development of Novel and Efficient Processes for the Synthesis of 5-Amino and 5-Iminoimidazo[1,2-a]imidazoles via Three-Component Reaction Catalyzed by Zirconium(IV) Chloride

P. Bonnet, G. Guillaumet, R. Guillot, 2019, Front. Chem..

Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase.

Y. Pommier, R. Schinazi, P. Bonnet, 2015, European journal of medicinal chemistry.

Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors.

F. Gouilleux, P. Bonnet, S. Ruchaud, 2018, European journal of medicinal chemistry.

Design, synthesis, and biological activity of pyridopyrimidine scaffolds as novel PI3K/mTOR dual inhibitors.

Lionel Colliandre, Stéphane Bourg, Mohamed Akssira, 2014, Journal of medicinal chemistry.

An original class of small sized molecules as versatile fluorescent probes for cellular imaging.

N. Chopin, P. Bonnet, I. Martinić, 2019, Chemical communications.

Conception of DYRK1A kinase inhibitors via metal-catalyzed C–H arylation, inspired by fragment-growing studies

L. Meijer, P. Bonnet, Corinne Fruit, 2018, Proceedings of 4th International Electronic Conference on Medicinal Chemistry.

Two-step one-pot synthesis of benzoannulated spiroacetals by Suzuki-Miyaura coupling/acid-catalyzed spiroacetalization.

P. Bonnet, I. Stansfield, L. Meerpoel, 2012, Organic letters.

Novel optimization of valmerins (tetrahydropyrido[1,2-a]isoindolones) as potent dual CDK5/GSK3 inhibitors.

L. Meijer, P. Bonnet, C. Guguen-Guillouzo, 2016, European journal of medicinal chemistry.

Diastereoselective Metal-Catalyzed Synthesis ofC-Aryl andC-Vinyl Glycosides

P. Bonnet, I. Stansfield, L. Meerpoel, 2012 .

Diastereoselective metal-catalyzed synthesis of C-aryl and C-vinyl glycosides.

P. Bonnet, I. Stansfield, L. Meerpoel, 2012, Angewandte Chemie.

Exciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors.

P. Bonnet, K. Douglas, R. Bryce, 2006, Organic & biomolecular chemistry.

Enantioseparation of novel chiral sulfoxides on chlorinated polysaccharide stationary phases in supercritical fluid chromatography.

P. Bonnet, A. Volonterio, C. West, 2017, Journal of chromatography. A.

Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach.

P. Bonnet, C. West, Martina Ferri, 2019, Journal of chromatography. A.

Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase.

P. Alzari, P. Bonnet, K. Douglas, 2007, Bioorganic & medicinal chemistry.

Advances in tetrahydropyrido[1,2-a]isoindolone (valmerins) series: Potent glycogen synthase kinase 3 and cyclin dependent kinase 5 inhibitors.

L. Meijer, P. Bonnet, C. Guguen-Guillouzo, 2015, European journal of medicinal chemistry.

Design, Synthesis and SAR in 2,4,7-Trisubstituted Pyrido[3,2-d]Pyrimidine Series as Novel PI3K/mTOR Inhibitors

P. Bonnet, R. Nehmé, P. Morin, 2021, Molecules.

Prediction of Protein Kinase-Ligand Interactions through 2.5D Kinochemometrics

Christophe Meyer, Pascal Bonnet, Nicolas Bosc, 2017, J. Chem. Inf. Model..

A Proteometric Analysis of Human Kinome: Insight into Discriminant Conformation-dependent Residues.

Nicolas Bosc, Pascal Bonnet, Samia Aci-Sèche, 2015, ACS chemical biology.

Targeting the inactive conformation of protein kinases: computational screening based on ligand conformation

Pascal Bonnet, Richard A. Bryce, Daniel Mucs, 2012 .

Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB

Stéphane Bourg, Christophe Meyer, Pascal Bonnet, 2020, Molecules.

Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted pyrido[3,2-d]pyrimidines as CDK5 and DYRK1A inhibitors.

L. Meijer, P. Bonnet, O. Lozach, 2014, European journal of medicinal chemistry.

Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors

Pascal Bonnet, Richard A. Bryce, Daniel Mucs, 2011, J. Comput. Aided Mol. Des..

Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.

V. Berdini, D. Brehmer, J. Linders, 2015, ACS medicinal chemistry letters.

PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials

Stéphane Bourg, Christophe Meyer, Pascal Bonnet, 2018, Molecules.

Specific inhibition of DNMT1/CFP1 reduces cancer phenotypes and enhances chemotherapy effectiveness.

P. Bonnet, P. Cartron, F. Vallette, 2014, Epigenomics.

Identification of a new series of flavopiridol-like structures as kinase inhibitors with high cytotoxic potency.

P. Colas, P. Bonnet, J. Bignon, 2020, European journal of medicinal chemistry.

Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.

S. Knapp, D. Brehmer, J. Linders, 2023, European journal of medicinal chemistry.

Exploring Protein Kinase Conformation Using Swarm-Enhanced Sampling Molecular Dynamics

Pascal Bonnet, Richard A. Bryce, Berthold Wroblowski, 2014, J. Chem. Inf. Model..

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.

P. Bonnet, E. Lesellier, C. Colas, 2019, Journal of chromatography. A.

Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations

Abdennour Braka, Norbert Garnier, Pascal Bonnet, 2019, J. Chem. Inf. Model..

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects.

Abdennour Braka, Pascal Bonnet, Sonia Ziada, 2018, Methods in molecular biology.

The use of novel selectivity metrics in kinase research

P. Bonnet, C. Meyer, N. Bosc, 2017, BMC Bioinformatics.

VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening.

Stéphane Bourg, Pascal Bonnet, Jade Fogha, 2020, Current medicinal chemistry.

Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA

E. Sancho-Vaello, J. Cifuente, P. Bonnet, 2016, Nature Communications.

Fr-PPIChem: An academic compound library dedicated to protein-protein interactions.

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2020, ACS chemical biology.

Effect of Sequence and Stereochemistry Reversal on p53 Peptide Mimicry

M. Chiu, P. Bonnet, R. Bryce, 2013, PloS one.

The use of novel selectivity metrics in kinase research

Christophe Meyer, Pascal Bonnet, Nicolas Bosc, 2017, BMC Bioinformatics.

Design and biological evaluation of substituted 5,7-dihydro-6H-indolo[2,3-c]quinolin-6-one as novel selective Haspin inhibitors

P. Bonnet, S. Ruchaud, S. Routier, 2022, Journal of enzyme inhibition and medicinal chemistry.

Title: Targeting the inactive pocket of protein kinases: computational screening based on ligand conformation

P. Bonnet, R. Bryce, D. Mucs, 2011 .

Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidase.

Pascal Bonnet, Richard A Bryce, P. Bonnet, 2005, Journal of molecular graphics & modelling.

An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.

S. Knapp, A. Casagrande, P. Bonnet, 2016, Journal of medicinal chemistry.

In Silico Peptide Ligation: Iterative Residue Docking and Linking as a New Approach to Predict Protein-Peptide Interactions

Pascal Bonnet, Julien Diharce, Vincent Aucagne, 2019, Molecules.

VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening

Stéphane Bourg, Pascal Bonnet, Samia Aci-Sèche, 2017, Molecular informatics.

A perspective on the sharing of docking data

A. D. de Brevern, P. Bonnet, Joseph Rebehmed, 2023, Data in brief.

Comprehensive Network Map of ADME‐Tox Databases

Stéphane Bourg, Philippe Vayer, Baptiste Canault, 2017, Molecular informatics.

Iron-catalyzed trifluoromethylation of enamide.

P. Bonnet, P. Retailleau, I. Gillaizeau, 2015, Chemistry.

Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted pyrido[3,2-d]pyrimidines as CDK5 and DYRK1A inhibitors.

L. Meijer, P. Bonnet, O. Lozach, 2014, European journal of medicinal chemistry.

A perspective on the sharing of docking data

P. Bonnet, Joseph Rebehmed, Samia Aci-Sèche, 2023, Data in brief.

Thermodynamic enantioseparation behavior of phenylthiohydantoin-amino acid derivatives in supercritical fluid chromatography on polysaccharide chiral stationary phases.

P. Bonnet, C. West, S. Khater, 2018, Journal of separation science.