Stéphane Bourg

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Colin Robinson

University of Leeds

John Corcoran

SUNY: University at Buffalo

Marc Champagne

Kwantlen Polytechnic University

IOANNIS LIRITZIS

Northwestern Polytechnical University

د.نعمان النجار

Ust Yemen

Harald Moeller

Max Planck Institute for Human Cognitive and Brain Sciences

B. Giraldo

Universitat Politecnica de Catalunya

Emad Ebbini

University of Minnesota - Twin Cities

Rym Meddeb

University of Tunis El Manar

A. Blagoev

Sofia University "St. Kliment Ohridski"

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Papers by Stéphane Bourg

LIM kinase inhibitors discovery by flexible protein high-throughput virtual screening. Structure-based design of LIM kinase inhibitors

HAL (Le Centre pour la Communication Scientifique Directe), Jan 25, 2018

National audienc

Développement de petites molécules inhibitrices des LIM kinases, nouvelles cibles thérapeutiques pour lutter contre le cancer, les maladies neurologiques et la neurofibromatose

HAL (Le Centre pour la Communication Scientifique Directe), Jan 25, 2018

International audienc

Computational study of ligand-receptor binding process using enhanced molecular dynamics simulations

HAL (Le Centre pour la Communication Scientifique Directe), Sep 4, 2016

International audienc

Design, Synthesis and Antiproliferative Activities of Biarylolefins Based on Polyhydroxylated and Carbohydrate Scaffolds

ChemInform, 2012

A series of biarylolefins based on the compounds (I) and (VIII) are synthesized by using sequenti... more

Projet Région LiCorNe: LIMK protein inhibitors, new therapeutic agents for treatment of cognitive disorders associated with type I Neurofibromatosis

National audienc

Simulation of the protein-ligand association process for kinetics prediction

National audienc

ChemInform Abstract: In vitro and in vivo Biological Evaluation of New 4,5-Disubstituted 1,2,3-Triazoles as cis-Constrained Analogues of Combretastatin A4

ChemInform, 2012

Triazoles (IV) and (VI) are obtained according to procedures already described or reported.

LIM kinases as new therapeutic targets for the treatment of neurofibromatosis type 1

International audienc

LIM kinases: new therapeutic targets to treat Neurofibromatosis type I

Small-molecule inhibitors of Fpg/Nei DNA glycosylases, enzymes initiating the base excision repair pathway, new targets for cancer therapy

Front Cover Picture: Palladium‐Catalyzed Regioselective C−H Arylation of 4‐Azaindazole at C3, C5 and C7 Positions (Adv. Synth. Catal. 16/2021)

Advanced Synthesis & Catalysis, 2021

Coordination Mode and Kinetic Behavior of the Tetracarbonatozirconate Ion

Helvetica Chimica Acta, 1999

Abstract The behavior of [Zr (CO 3) 4] 4− complex in solution is studied by determining the coord... more

In vitro and in vivo biological evaluation of new 4,5-disubstituted 1,2,3-triazoles as cis-constrained analogs of combretastatin A4

European Journal of Medicinal Chemistry, 2012

In vitro and in vivo biological evaluation of new 4,5-disubstituted 1,2,3-triazoles as cisconstra... more

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Design, synthesis and biological activity of a pyrrolo [2,1-c][1,4]benzodiazepine (PBD)-distamycin hybrid

Bioorganic & Medicinal Chemistry Letters, 1998

We report the synthesis of a new hybrid 13 which is a combination of the naturally occurring anti... more We report the synthesis of a new hybrid 13 which is a combination of the naturally occurring antitumor agent distamycin A 1 and the pyrrolo[2,1-c][1,4]benzodiazepine 11, related to the naturally occurring anthramycin 2. The antitumor activity of the hybrid 13 was tested in vitro and compared to the natural product distamycin 1 and the PBD 11.

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Automatic first-order multiplet analysis in liquid-state NMR

Comptes Rendus Chimie, 2006

The extraction of coupling constant values from NMR spectra is an important step in assigning the... more The extraction of coupling constant values from NMR spectra is an important step in assigning the configuration of organic molecules. A method for the automatic multiplet analysis in weakly coupled spin systems is described here. It relies on a multi-step procedure that forms the AUJ (AUtomatic J) algorithm. Tolerance to low-magnitude second-order effects is achieved by an efficient multiplet centering and symmetrization step. Time-domain signal analysis through a linear model produces a raw evaluation of coupling constants and their associated multiplicities. The final result is obtained through numerical optimization of the multiplet parameters. Two examples are presented, one from an experimental spectrum, and the other one, of higher complexity, from a computer-simulated multiplet. To cite this article: É.

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Design, Synthesis and SAR in 2,4,7-Trisubstituted Pyrido[3.2-d]Pyrimidine Series as Novel PI3K/mTOR Inhibitors

Molecules

This work describes the synthesis, enzymatic activities on PI3K and mTOR, in silico docking and c... more This work describes the synthesis, enzymatic activities on PI3K and mTOR, in silico docking and cellular activities of various uncommon 2,4,7 trisubstituted pyrido[3.2-d]pyrimidines. The series synthesized offers a chemical diversity in C-7 whereas C-2 (3-hydroxyphenyl) and C-4 groups (morpholine) remain unchanged, in order to provide a better understanding of the molecular determinants of PI3K selectivity or dual activity on PI3K and mTOR. Some C-7 substituents were shown to improve the efficiency on kinases compared to the 2,4-di-substituted pyrimidopyrimidine derivatives used as references. Six novel derivatives possess IC50 values on PI3Kα between 3 and 10 nM. The compounds with the best efficiencies on PI3K and mTOR induced micromolar cytotoxicity on cancer cell lines possessing an overactivated PI3K pathway.

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

Molecules

Since the first approval of a protein kinase inhibitor (PKI) by the Food and Drug Administration ... more Since the first approval of a protein kinase inhibitor (PKI) by the Food and Drug Administration (FDA) in 2001, 55 new PKIs have reached the market, and many inhibitors are currently being evaluated in clinical trials. This is a clear indication that protein kinases still represent major drug targets for the pharmaceutical industry. In a previous work, we have introduced PKIDB, a publicly available database, gathering PKIs that have already been approved (Phase 4), as well as those currently in clinical trials (Phases 0 to 3). This database is updated frequently, and an analysis of the new data is presented here. In addition, we compared the set of PKIs present in PKIDB with the PKIs in early preclinical studies found in ChEMBL, the largest publicly available chemical database. For each dataset, the distribution of physicochemical descriptors related to drug-likeness is presented. From these results, updated guidelines to prioritize compounds for targeting protein kinases are propos...

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Fr-PPIChem: An Academic Compound Library Dedicated to ProteinProtein Interactions

Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights

International Journal of Molecular Sciences

DNA glycosylases are emerging as relevant pharmacological targets in inflammation, cancer and neu... more DNA glycosylases are emerging as relevant pharmacological targets in inflammation, cancer and neurodegenerative diseases. Consequently, the search for inhibitors of these enzymes has become a very active research field. As a continuation of previous work that showed that 2-thioxanthine (2TX) is an irreversible inhibitor of zinc finger (ZnF)-containing Fpg/Nei DNA glycosylases, we designed and synthesized a mini-library of 2TX-derivatives (TXn) and evaluated their ability to inhibit Fpg/Nei enzymes. Among forty compounds, four TXn were better inhibitors than 2TX for Fpg. Unexpectedly, but very interestingly, two dithiolated derivatives more selectively and efficiently inhibit the zincless finger (ZnLF)-containing enzymes (human and mimivirus Neil1 DNA glycosylases hNeil1 and MvNei1, respectively). By combining chemistry, biochemistry, mass spectrometry, blind and flexible docking and X-ray structure analysis, we localized new TXn binding sites on Fpg/Nei enzymes. This endeavor allowe...

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

Journal of Chromatography A

LIM kinase inhibitors discovery by flexible protein high-throughput virtual screening. Structure-based design of LIM kinase inhibitors

HAL (Le Centre pour la Communication Scientifique Directe), Jan 25, 2018

National audienc

Développement de petites molécules inhibitrices des LIM kinases, nouvelles cibles thérapeutiques pour lutter contre le cancer, les maladies neurologiques et la neurofibromatose

HAL (Le Centre pour la Communication Scientifique Directe), Jan 25, 2018

International audienc

Computational study of ligand-receptor binding process using enhanced molecular dynamics simulations

HAL (Le Centre pour la Communication Scientifique Directe), Sep 4, 2016

International audienc

Design, Synthesis and Antiproliferative Activities of Biarylolefins Based on Polyhydroxylated and Carbohydrate Scaffolds

ChemInform, 2012

A series of biarylolefins based on the compounds (I) and (VIII) are synthesized by using sequenti... more

Projet Région LiCorNe: LIMK protein inhibitors, new therapeutic agents for treatment of cognitive disorders associated with type I Neurofibromatosis

National audienc

Simulation of the protein-ligand association process for kinetics prediction

National audienc

ChemInform Abstract: In vitro and in vivo Biological Evaluation of New 4,5-Disubstituted 1,2,3-Triazoles as cis-Constrained Analogues of Combretastatin A4

ChemInform, 2012

Triazoles (IV) and (VI) are obtained according to procedures already described or reported.

LIM kinases as new therapeutic targets for the treatment of neurofibromatosis type 1

International audienc

LIM kinases: new therapeutic targets to treat Neurofibromatosis type I

Small-molecule inhibitors of Fpg/Nei DNA glycosylases, enzymes initiating the base excision repair pathway, new targets for cancer therapy

Front Cover Picture: Palladium‐Catalyzed Regioselective C−H Arylation of 4‐Azaindazole at C3, C5 and C7 Positions (Adv. Synth. Catal. 16/2021)

Advanced Synthesis & Catalysis, 2021

Coordination Mode and Kinetic Behavior of the Tetracarbonatozirconate Ion

Helvetica Chimica Acta, 1999

Abstract The behavior of [Zr (CO 3) 4] 4− complex in solution is studied by determining the coord... more

In vitro and in vivo biological evaluation of new 4,5-disubstituted 1,2,3-triazoles as cis-constrained analogs of combretastatin A4

European Journal of Medicinal Chemistry, 2012

In vitro and in vivo biological evaluation of new 4,5-disubstituted 1,2,3-triazoles as cisconstra... more

Download

Design, synthesis and biological activity of a pyrrolo [2,1-c][1,4]benzodiazepine (PBD)-distamycin hybrid

Bioorganic & Medicinal Chemistry Letters, 1998

Download

Automatic first-order multiplet analysis in liquid-state NMR

Comptes Rendus Chimie, 2006

Download

Design, Synthesis and SAR in 2,4,7-Trisubstituted Pyrido[3.2-d]Pyrimidine Series as Novel PI3K/mTOR Inhibitors

Molecules

Download

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

Molecules

Download

Fr-PPIChem: An Academic Compound Library Dedicated to ProteinProtein Interactions

Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights

International Journal of Molecular Sciences

Download

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

Journal of Chromatography A

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