List of works - Bruno O Villoutreix

A Cell-Penetrating Peptide Targeting AAC-11 Specifically Induces Cancer Cells Death.

scientific article published on 12 July 2016

A Leap into the Chemical Space of Protein-Protein Interaction Inhibitors ⬇️

scientific article published on January 1, 2012

A formylated hexapeptide ligand mimics the ability of Wnt-5a to impair migration of human breast epithelial cells

scientific article published on 5 December 2005

A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides

publication published on 11 April 2022

A novel non-synonymous polymorphism (p.Arg240His) in C4b-binding protein is associated with atypical hemolytic uremic syndrome and leads to impaired alternative pathway cofactor activity

scientific article

A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: from biostructural pathology to species-specific cofactor activity

scientific article published on May 1, 1997

AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics

scientific article published on 9 May 2017

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

scientific article

Acute genetic ablation of pendrin lowers blood pressure in mice.

scientific article published in July 2017

Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

scientific article published on 30 August 2013

Amino Acid Residues in Thrombin-sensitive Region and First Epidermal Growth Factor Domain of Vitamin K-dependent Protein S Determining Specificity of the Activated Protein C Cofactor Function ⬇️

scientific article published on October 16, 1998

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions.

scientific article

Analysis of binding sites on complement factor I that are required for its activity

scientific article

Analysis of binding sites on complement factor I using artificial N-linked glycosylation

scientific article published on 5 March 2012

Analysis of protein missense alterations by combining sequence- and structure-based methods

scientific article published on 25 February 2020

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors

scientific article published on 22 November 2018

Anti-Factor B Antibodies and Acute Postinfectious GN in Children

scientific article published on 07 February 2020

Blockade of the malignant phenotype by β-subunit selective noncovalent inhibition of immuno- and constitutive proteasomes.

scientific article published on 02 January 2017

Breast cancer targeting through inhibition of the endoplasmic reticulum-based apoptosis regulator Nrh/BCL2L10.

scientific article published on 12 January 2018

Calcium binding to tandem repeats of EGF‐like modules. Expression and characterization of the EGF‐like modules of human Notch‐1 implicated in receptor‐ligand interactions ⬇️

scientific article published on October 1, 1997

Characterization of the complement inhibitory function of Rhesus rhadinovirus

scholarly article by Marcin Okroj et al published October 2008 in Molecular Immunology

Characterization of the complement inhibitory function of rhesus rhadinovirus complement control protein (RCP).

scientific article published on 6 November 2008

Chemical libraries dedicated to protein-protein interactions

scientific article

Complement inhibitor C4b-binding protein-friend or foe in the innate immune system?

scientific article published on April 2004

Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties.

scientific article published on 21 February 2017

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

scientific article published on 11 April 2017

Computational investigations of hERG channel blockers: New insights and current predictive models

scientific article published on 12 March 2015

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening

scientific article

DNA damage-induced nuclear translocation of Apaf-1 is mediated by nucleoporin Nup107.

scientific article

Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: Effect of dimerisation on phosphatase inhibition ⬇️

scientific article published on October 22, 2012

Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V

scholarly article

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

scientific article

Development of novel thiazolopyrimidines as CDC25B phosphatase inhibitors

scientific article

Discoidin Domains as Emerging Therapeutic Targets.

scientific article

Discovery of novel inhibitors of vascular endothelial growth factor-A-Neuropilin-1 interaction by structure-based virtual screening

scientific article published on 7 June 2014

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

scientific article

Established and Emerging Trends in Computational Drug Discovery in the Structural Genomics Era ⬇️

scientific article published on January 27, 2012

Expression and functional characterization of two natural heparin-binding site variants of antithrombin.

scientific article

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

scientific article

FAF-Drugs3: a web server for compound property calculation and chemical library design.

scientific article published on 16 April 2015

FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery

scientific article published on 29 July 2017

Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces

scientific article published on 11 August 2020

Free resources to assist structure-based virtual ligand screening experiments

scientific article

Functional characterization of two novel non-synonymous alterations in CD46 and a Q950H change in factor H found in atypical hemolytic uremic syndrome patients

scientific article

Functions of human complement inhibitor C4b-binding protein in relation to its structure

scientific article published on March 2004

Genetic polymorphisms associated with increased risk of developing chronic myelogenous leukemia

scientific article published on 12 October 2015

Genetic, molecular and functional analyses of complement factor I deficiency

scientific article

Gly197Arg mutation in protein C causes recurrent thrombosis in a heterozygous carrier

scientific article published on 20 February 2020

Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins

scientific article

Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737.

scientific article

Identification of insulin-sensitizing molecules acting by disrupting the interaction between the Insulin Receptor and Grb14.

scientific article published on 4 December 2017

Identification of novel small molecule inhibitors of activated protein C.

scientific article

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances

scientific article published on 5 March 2015

In silico mechanistic profiling to probe small molecule binding to sulfotransferases

scientific article (publication date: 2013)

In silico model of the human ClC-Kb chloride channel: pore mapping, biostructural pathology and drug screening

scientific article

In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors

scientific article published on 18 January 2010

In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics

scientific article published on April 2008

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction

scientific article (publication date: 2013)

Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30.

scientific article

Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.

scientific article

Kaposi's sarcoma-associated herpes virus complement control protein: KCP--complement inhibition and more

scientific article published on 14 August 2006

Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches

scientific article

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

scientific article

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping

scientific article

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

scientific article

MTiOpenScreen: a web server for structure-based virtual screening.

scientific article published on 8 April 2015

Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9

scientific article published on 26 January 2022

Mapping of the factor Xa binding site on factor Va by site-directed mutagenesis

scientific article

Molecular basis of coagulation factor V deficiency caused by the R1698W inter-domain mutation ⬇️

scientific article published on April 25, 2013

Mutations in alpha-chain of C4BP that selectively affect its factor I cofactor function

scientific article published on 31 July 2003

Mutations in complement factor I as found in atypical hemolytic uremic syndrome lead to either altered secretion or altered function of factor I

scientific article

Mutations in components of complement influence the outcome of Factor I-associated atypical hemolytic uremic syndrome

scientific article

Mutations within the cyclooxygenase-1 gene in aspirin non-responders with recurrence of stroke

scientific article (publication date: 2003)

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade

scientific article published on 03 July 2013

PCE: web tools to compute protein continuum electrostatics

scientific article

Pan-assay interference compounds (PAINS) that may not be too painful for chemical biology projects

scientific article published on 01 July 2017

Pharmacogenomics of the cytochrome P450 2C family: impacts of amino acid variations on drug metabolism.

scientific article

Probing plasma clearance of the thrombin–antithrombin complex with a monoclonal antibody against the putative serpin–enzyme complex receptor‐binding site ⬇️

scientific article published on 01 October 2003

Proposed structural models of the prothrombinase (FXa-FVa) complex

scientific article

Protein structure analysis online.

scientific article

Rationalizing the chemical space of protein-protein interaction inhibitors

scientific article

Receptor-based computational screening of compound databases: the main docking-scoring engines

scientific article published in October 2006

Regulation of blood coagulation by the protein C anticoagulant pathway: novel insights into structure-function relationships and molecular recognition

scientific article

Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)

scientific article published on 21 October 2019

Role of CCP2 of the C4b-binding protein β-chain in protein S binding evaluated by mutagenesis and monoclonal antibodies

scientific article published on 01 January 2003

Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments.

scientific article published on 10 March 2008

Structural analysis of an anti-estradiol antibody ⬇️

scientific article published on November 1, 1997

Structural bioinformatics: methods, concepts and applications to blood coagulation proteins.

scientific article

Structural investigation of the A domains of human blood coagulation factor V by molecular modeling ⬇️

scientific article published on June 1, 1998

Structural requirements of anticoagulant protein S for its binding to the complement regulator C4b-binding protein

scientific article published in Journal of Biological Chemistry

Structural stability and heat-induced conformational change of two complement inhibitors: C4b-binding protein and factor H

scientific article published on 9 April 2004

Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages

scientific article published on 28 July 2020

Structure-based virtual ligand screening with LigandFit: pose prediction and enrichment of compound collections

scientific article

Structure-based virtual ligand screening: recent success stories

scientific article published on December 2009

Targeting the proangiogenic VEGF-VEGFR protein-protein interface with drug-like compounds by in silico and in vitro screening

scientific article

Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane

scientific article published on 3 August 2010

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

scientific article

The Kaposi's sarcoma-associated herpesvirus complement control protein (KCP) binds to heparin and cell surfaces via positively charged amino acids in CCP1-2.

scientific article published on 26 January 2006

The Kaposi's sarcoma-associated herpesvirus complement control protein mimics human molecular mechanisms for inhibition of the complement system

scientific article

The N-terminal epidermal growth factor-like domain of coagulation factor IX. Probing its functions in the activation of factor IX and factor X with a monoclonal antibody

scientific article

The anticoagulant protein C pathway

scientific article

Theileria parasites secrete a prolyl isomerase to maintain host leukocyte transformation

scientific article

Therapeutic Targeting of Nuclear γ-Tubulin in RB1-Negative Tumors.

scientific article published on May 2015

Toward in silico structure-based ADMET prediction in drug discovery.

scientific article published on 29 October 2011

Tyrosine kinase syk non-enzymatic inhibitors and potential anti-allergic drug-like compounds discovered by virtual and in vitro screening

scientific article

Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace

scientific article published on 18 March 2020

Zebrafish ProVEGF-C expression, proteolytic processing and inhibitory effect of unprocessed ProVEGF-C during fin regeneration

scientific article

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions

scientific article published on 17 May 2013

iPPI-DB: an online database of modulators of protein-protein interactions.

scientific article

List of works by Bruno O Villoutreix

A Cell-Penetrating Peptide Targeting AAC-11 Specifically Induces Cancer Cells Death.

A Leap into the Chemical Space of Protein-Protein Interaction Inhibitors ⬇️

A formylated hexapeptide ligand mimics the ability of Wnt-5a to impair migration of human breast epithelial cells

A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides

A novel non-synonymous polymorphism (p.Arg240His) in C4b-binding protein is associated with atypical hemolytic uremic syndrome and leads to impaired alternative pathway cofactor activity

A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: from biostructural pathology to species-specific cofactor activity

AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

Acute genetic ablation of pendrin lowers blood pressure in mice.

Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group

Amino Acid Residues in Thrombin-sensitive Region and First Epidermal Growth Factor Domain of Vitamin K-dependent Protein S Determining Specificity of the Activated Protein C Cofactor Function ⬇️

An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions.

Analysis of binding sites on complement factor I that are required for its activity

Analysis of binding sites on complement factor I using artificial N-linked glycosylation

Analysis of protein missense alterations by combining sequence- and structure-based methods

Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein-protein interaction inhibitors

Anti-Factor B Antibodies and Acute Postinfectious GN in Children

Blockade of the malignant phenotype by β-subunit selective noncovalent inhibition of immuno- and constitutive proteasomes.

Breast cancer targeting through inhibition of the endoplasmic reticulum-based apoptosis regulator Nrh/BCL2L10.

Calcium binding to tandem repeats of EGF‐like modules. Expression and characterization of the EGF‐like modules of human Notch‐1 implicated in receptor‐ligand interactions ⬇️

Characterization of the complement inhibitory function of Rhesus rhadinovirus

Characterization of the complement inhibitory function of rhesus rhadinovirus complement control protein (RCP).

Chemical libraries dedicated to protein-protein interactions

Complement inhibitor C4b-binding protein-friend or foe in the innate immune system?

Computational Biology and Chemistry in MTi: Emphasis on the Prediction of Some ADMET Properties.

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

Computational investigations of hERG channel blockers: New insights and current predictive models

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening

DNA damage-induced nuclear translocation of Apaf-1 is mediated by nucleoporin Nup107.

Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: Effect of dimerisation on phosphatase inhibition ⬇️

Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

Development of novel thiazolopyrimidines as CDC25B phosphatase inhibitors

Discoidin Domains as Emerging Therapeutic Targets.

Discovery of novel inhibitors of vascular endothelial growth factor-A-Neuropilin-1 interaction by structure-based virtual screening

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

Established and Emerging Trends in Computational Drug Discovery in the Structural Genomics Era ⬇️

Expression and functional characterization of two natural heparin-binding site variants of antithrombin.

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

FAF-Drugs3: a web server for compound property calculation and chemical library design.

FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery

Fast Rescoring Protocols to Improve the Performance of Structure-Based Virtual Screening Performed on Protein-Protein Interfaces

Free resources to assist structure-based virtual ligand screening experiments

Functional characterization of two novel non-synonymous alterations in CD46 and a Q950H change in factor H found in atypical hemolytic uremic syndrome patients

Functions of human complement inhibitor C4b-binding protein in relation to its structure

Genetic polymorphisms associated with increased risk of developing chronic myelogenous leukemia

Genetic, molecular and functional analyses of complement factor I deficiency

Gly197Arg mutation in protein C causes recurrent thrombosis in a heterozygous carrier

Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins

Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737.

Identification of insulin-sensitizing molecules acting by disrupting the interaction between the Insulin Receptor and Grb14.

Identification of novel small molecule inhibitors of activated protein C.

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances

In silico mechanistic profiling to probe small molecule binding to sulfotransferases

In silico model of the human ClC-Kb chloride channel: pore mapping, biostructural pathology and drug screening

In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors

In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction

Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30.

Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.

Kaposi's sarcoma-associated herpes virus complement control protein: KCP--complement inhibition and more

Ligand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approaches

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

MTiOpenScreen: a web server for structure-based virtual screening.

Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9

Mapping of the factor Xa binding site on factor Va by site-directed mutagenesis

Molecular basis of coagulation factor V deficiency caused by the R1698W inter-domain mutation ⬇️

Mutations in alpha-chain of C4BP that selectively affect its factor I cofactor function

Mutations in complement factor I as found in atypical hemolytic uremic syndrome lead to either altered secretion or altered function of factor I

Mutations in components of complement influence the outcome of Factor I-associated atypical hemolytic uremic syndrome

Mutations within the cyclooxygenase-1 gene in aspirin non-responders with recurrence of stroke

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade

PCE: web tools to compute protein continuum electrostatics

Pan-assay interference compounds (PAINS) that may not be too painful for chemical biology projects

Pharmacogenomics of the cytochrome P450 2C family: impacts of amino acid variations on drug metabolism.

Probing plasma clearance of the thrombin–antithrombin complex with a monoclonal antibody against the putative serpin–enzyme complex receptor‐binding site ⬇️

Proposed structural models of the prothrombinase (FXa-FVa) complex