List of works - Florent Barbault

2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors

article

A new series of Cs+, K+ and Na+ chelators: Synthesis, kinetics, thermodynamics and modeling

A novel small-molecule inhibitor of HIV-1 entry

scientific article

A novel tyrosine kinase inhibitor restores chondrocyte differentiation and promotes bone growth in a gain-of-function Fgfr3 mouse model ⬇️

scientific article published on November 9, 2011

Cellular interaction through LewisX cluster: theoretical studies

scientific article published on 11 July 2008

Design of novel RNA ligands that bind stem-bulge HIV-1 TAR RNA

scientific article published on 23 July 2010

Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41

scientific article published on December 2008

Diarylaniline derivatives as a distinct class of HIV-1 non-nucleoside reverse transcriptase inhibitors

scientific article

Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors

scientific article published on 28 March 2009

Elucidation of chiral recognition processes of macrocyclic antibiotic vancomycin.

scientific article published in June 2006

First synthesis of two deoxy Lewis(x) pentaosyl glycosphingolipids

scientific article published on 01 November 2007

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site

scientific article published on 22 October 2007

Functional and structural characterization of the arylamine N-acetyltransferase from the opportunistic pathogen Nocardia farcinica

scientific article

HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying the structure and internal dynamics of a mutated SL1 hairpin

scientific article

In Vitro interaction between yeast frataxin and superoxide dismutases: Influence of mitochondrial metals

scientific article published on 21 February 2019

Indole alkaloids from the Marquesan plant Rauvolfia nukuhivensis and their effects on ion channels

scientific article

Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors

scientific article published on 13 January 2012

Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?

scientific article

Lead optimization of antifungal peptides with 3D NMR structures analysis

scientific article

Molecular Dynamics Simulation of a RNA Aptasensor.

scientific article published on 31 March 2017

Molecular Dynamics Simulations of 2‐Amino‐6‐arylsulphonylbenzonitriles Analogues as HIV Inhibitors: Interaction Modes and Binding Free Energies ⬇️

scientific article published on October 13, 2010

Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors

scientific article published on 28 January 2008

Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3).

scientific article published on 26 March 2015

Rational design of peptides active against the gram positive bacteria Staphylococcus aureus

scientific article

Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors.

scientific article published on 8 February 2009

Simulation with quantum mechanics/molecular mechanics for drug discovery

scientific article published on 08 August 2015

Striking HIV-1 Entry by Targeting HIV-1 gp41. But, Where Should We Target?

scientific article published on 19 January 2016

Synthesis of purin-2-yl and purin-6-yl-aminoglucitols as C-nucleosidic ATP mimics and biological evaluation as FGFR3 inhibitors.

scientific article

Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process

scientific article published on 05 January 2013

Triggering the Electrolyte-Gated Organic Field-Effect Transistor output characteristics through gate functionalization using diazonium chemistry: Application to biodetection of 2,4-dichlorophenoxyacetic acid

scientific article published on 26 April 2018

Tyrosine kinase inhibitor NVP-BGJ398 functionally improves FGFR3-related dwarfism in mouse model.

scientific article published on 11 April 2016

List of works by Florent Barbault

2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors

A new series of Cs+, K+ and Na+ chelators: Synthesis, kinetics, thermodynamics and modeling

A novel small-molecule inhibitor of HIV-1 entry

A novel tyrosine kinase inhibitor restores chondrocyte differentiation and promotes bone growth in a gain-of-function Fgfr3 mouse model ⬇️

Cellular interaction through LewisX cluster: theoretical studies

Design of novel RNA ligands that bind stem-bulge HIV-1 TAR RNA

Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41

Diarylaniline derivatives as a distinct class of HIV-1 non-nucleoside reverse transcriptase inhibitors

Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors

Elucidation of chiral recognition processes of macrocyclic antibiotic vancomycin.

First synthesis of two deoxy Lewis(x) pentaosyl glycosphingolipids

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site

Functional and structural characterization of the arylamine N-acetyltransferase from the opportunistic pathogen Nocardia farcinica

HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying the structure and internal dynamics of a mutated SL1 hairpin

In Vitro interaction between yeast frataxin and superoxide dismutases: Influence of mitochondrial metals

Indole alkaloids from the Marquesan plant Rauvolfia nukuhivensis and their effects on ion channels

Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors

Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?

Lead optimization of antifungal peptides with 3D NMR structures analysis

Molecular Dynamics Simulation of a RNA Aptasensor.

Molecular Dynamics Simulations of 2‐Amino‐6‐arylsulphonylbenzonitriles Analogues as HIV Inhibitors: Interaction Modes and Binding Free Energies ⬇️

Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors

Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3).

Rational design of peptides active against the gram positive bacteria Staphylococcus aureus

Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors.

Simulation with quantum mechanics/molecular mechanics for drug discovery

Striking HIV-1 Entry by Targeting HIV-1 gp41. But, Where Should We Target?

Synthesis of purin-2-yl and purin-6-yl-aminoglucitols as C-nucleosidic ATP mimics and biological evaluation as FGFR3 inhibitors.

Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process

Triggering the Electrolyte-Gated Organic Field-Effect Transistor output characteristics through gate functionalization using diazonium chemistry: Application to biodetection of 2,4-dichlorophenoxyacetic acid

Tyrosine kinase inhibitor NVP-BGJ398 functionally improves FGFR3-related dwarfism in mouse model.