Lista de obras - Bruno O Villoutreix - Dominio Público Uruguay

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

artículo científico publicado en 2016

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

artículo científico publicado el 1 de enero de 2012

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

artículo científico publicado en 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

artículo científico publicado en 2008

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

artículo científico publicado el 1 de mayo de 1997

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

artículo científico publicado en 2017

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

artículo científico publicado en 2008

Acute genetic ablation of pendrin lowers blood pressure in mice.

artículo científico publicado en 2017

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

artículo científico publicado en 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 ⬇️

artículo científico publicado el 16 de octubre de 1998

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

artículo científico publicado en 2015

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

artículo científico publicado en 2010

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

artículo científico publicado en 2012

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

artículo científico publicado en 2020

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

artículo científico publicado en 2018

Anti-Factor B Antibodies and Acute Postinfectious GN in Children

artículo científico publicado en 2020

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

artículo científico publicado en 2017

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

artículo científico publicado en 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 ⬇️

artículo científico publicado el 1 de octubre de 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).

artículo científico publicado en 2008

Chemical libraries dedicated to protein-protein interactions

artículo científico publicado en 2015

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

artículo científico publicado en 2004

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

artículo científico publicado en 2017

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

artículo científico publicado en 2017

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

artículo científico

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

artículo científico publicado en 2009

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

artículo científico publicado en 2015

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

artículo científico publicado el 22 de octubre de 2012

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

artículo científico publicado en 2007

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

artículo científico publicado en 2010

Development of novel thiazolopyrimidines as CDC25B phosphatase inhibitors

artículo científico publicado en 2009

Discoidin Domains as Emerging Therapeutic Targets.

artículo científico publicado en 2016

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

artículo científico publicado en 2014

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

artículo científico publicado en 2010

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

artículo científico publicado el 27 de enero de 2012

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

artículo científico publicado en 2017

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

artículo científico publicado en 2008

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

artículo científico publicado en 2015

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

artículo científico publicado en 2017

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

artículo científico publicado en 2020

Free resources to assist structure-based virtual ligand screening experiments

artículo científico publicado en 2007

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

artículo científico publicado en 2015

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

artículo científico publicado en 2004

Genetic polymorphisms associated with increased risk of developing chronic myelogenous leukemia

artículo científico publicado en 2015

Genetic, molecular and functional analyses of complement factor I deficiency

artículo científico publicado en 2009

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

artículo científico publicado en 2020

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

artículo científico publicado en 2013

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

artículo científico publicado en 2014

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

artículo científico publicado en 2017

Identification of novel small molecule inhibitors of activated protein C.

artículo científico publicado en 2014

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

artículo científico publicado en 2015

In silico mechanistic profiling to probe small molecule binding to sulfotransferases

artículo científico publicado en 2013

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

artículo científico publicado en 2017

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

artículo científico publicado en 2010

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

artículo científico publicado en 2008

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

artículo científico publicado en 2013

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

artículo científico publicado en 2018

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

artículo científico publicado en 2015

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

artículo científico publicado en 2006

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

artículo científico publicado en 2014

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

artículo científico publicado en 2008

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

artículo científico publicado en 2007

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

artículo científico publicado en 2008

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

artículo científico publicado en 2015

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

artículo científico publicado en 2022

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

artículo científico publicado en 2008

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

artículo científico publicado el 25 de abril de 2013

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

artículo científico publicado en 2003

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

artículo científico publicado en 2010

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

artículo científico publicado en 2010

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

artículo científico publicado en 2003

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

artículo científico publicado en 2013

PCE: web tools to compute protein continuum electrostatics

artículo científico publicado en 2005

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado el 1 de octubre de 2003

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

artículo científico publicado en 2006

Protein structure analysis online.

artículo científico publicado en 2007

Rationalizing the chemical space of protein-protein interaction inhibitors

artículo científico publicado en 2009

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

artículo científico publicado en 2006

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

artículo científico publicado en 2005

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

artículo científico publicado en 2003

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

artículo científico publicado en 2008

Structural analysis of an anti-estradiol antibody ⬇️

artículo científico publicado el 1 de noviembre de 1997

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

artículo científico publicado en 2002

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

artículo científico publicado el 1 de junio de 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

artículo científico publicado en 2004

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

artículo científico publicado en 2020

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

artículo científico publicado en 2007

Structure-based virtual ligand screening: recent success stories

artículo científico publicado en 2009

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

artículo científico publicado en 2011

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

artículo científico publicado en 2010

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

artículo científico publicado en 2011

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

artículo científico publicado en 2006

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

artículo científico publicado en 2004

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

artículo científico publicado en 2002

The anticoagulant protein C pathway

artículo científico publicado en 2005

Theileria parasites secrete a prolyl isomerase to maintain host leukocyte transformation

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico

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

artículo científico publicado en 2011

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

artículo científico publicado en 2020

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

artículo científico publicado en 2010

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

artículo científico

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

artículo científico publicado en 2015

Lista de obras de 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