List of works - Jérémie Mortier

3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties

scientific article

An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides

scientific article

Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.).

scientific article published on 29 July 2015

Anti-virulence strategy against Brucella suis: synthesis, biological evaluation and molecular modeling of selective histidinol dehydrogenase inhibitors

scientific article published on 01 April 2011

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

scientific article published on 19 October 2017

Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.

scientific article published on 12 February 2015

Computational tools for in silico fragment-based drug design.

scientific article

Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C

scientific article published on 01 April 2020

Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity

scientific article

Design, synthesis and structure-activity relationship of novel quinoxaline derivatives as cancer chemopreventive agent by inhibition of tyrosine kinase receptor.

scientific article published on 13 August 2013

Design, synthesis, inhibition studies, and molecular modeling of pepstatin analogues addressing different secreted aspartic proteinases of Candida albicans

scientific article

Discovery of Sanggenon G as a natural cell-permeable small-molecular weight inhibitor of X-linked inhibitor of apoptosis protein (XIAP).

scientific article published on 5 July 2014

From carbohydrates to drug-like fragments: Rational development of novel α-amylase inhibitors

scientific article published on 8 September 2015

Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches

scientific article published on 24 September 2014

Impact of fluorination on proteolytic stability of peptides in human blood plasma

scientific article published on 2 April 2013

Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin.

scientific article published on 6 September 2014

In silico virtual screening approaches for anti-viral drug discovery

scientific article

Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase.

scientific article published on 18 July 2014

KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

scientific article published on 06 November 2020

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.

scientific article

NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening.

scientific article published on 8 June 2010

Pyrazolo[4,3-c]isoquinolines as potential inhibitors of NF-kappaB activation

scientific article published on 21 January 2010

Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells

scientific article

Synthesis, biological evaluation, and docking studies of new 2-furylbenzimidazoles as anti-angiogenic agents: part II.

scientific article published on 5 February 2014

Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives.

scientific article published on 16 October 2017

Tailored Presentation of Carbohydrates on a Coiled Coil-Based Scaffold for Asialoglycoprotein Receptor Targeting

scientific article published on 9 June 2015

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes

scientific article

Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

scientific article published on 06 August 2018

α-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening

scientific article

β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils

scientific article published on 28 October 2014

List of works by Jérémie Mortier

3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties

An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides

Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.).

Anti-virulence strategy against Brucella suis: synthesis, biological evaluation and molecular modeling of selective histidinol dehydrogenase inhibitors

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.

Computational tools for in silico fragment-based drug design.

Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C

Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity

Design, synthesis and structure-activity relationship of novel quinoxaline derivatives as cancer chemopreventive agent by inhibition of tyrosine kinase receptor.

Design, synthesis, inhibition studies, and molecular modeling of pepstatin analogues addressing different secreted aspartic proteinases of Candida albicans

Discovery of Sanggenon G as a natural cell-permeable small-molecular weight inhibitor of X-linked inhibitor of apoptosis protein (XIAP).

From carbohydrates to drug-like fragments: Rational development of novel α-amylase inhibitors

Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches

Impact of fluorination on proteolytic stability of peptides in human blood plasma

Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin.

In silico virtual screening approaches for anti-viral drug discovery

Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase.

KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.

NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening.

Pyrazolo[4,3-c]isoquinolines as potential inhibitors of NF-kappaB activation

Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells

Synthesis, biological evaluation, and docking studies of new 2-furylbenzimidazoles as anti-angiogenic agents: part II.

Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives.

Tailored Presentation of Carbohydrates on a Coiled Coil-Based Scaffold for Asialoglycoprotein Receptor Targeting

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes

Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

α-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening

β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils