G. Pujadas

发表

Molecular fingerprint similarity search in virtual screening.

Adrià Cereto-Massagué, María José Ojeda, Cristina Valls, 2015, Methods.

Protein-ligand Docking: A Review of Recent Advances and Future Perspectives

Gerard Pujadas, Mayte Blay, Lluís Arola, 2008 .

The Light and Dark Sides of Virtual Screening: What Is There to Know?

Adrià Cereto-Massagué, Miquel Mulero, Gerard Pujadas, 2019, International journal of molecular sciences.

Tools for in silico target fishing.

Adrià Cereto-Massagué, María José Ojeda, Cristina Valls, 2015, Methods.

Understanding the variability of the S1' pocket to improve matrix metalloproteinase inhibitor selectivity profiles.

Miquel Mulero, Gerard Pujadas, Santiago Garcia-Vallvé, 2019, Drug discovery today.

The lipid-lowering effect of dietary proanthocyanidins in rats involves both chylomicron-rich and VLDL-rich fractions

S. Garcia-Vallvé, G. Pujadas, L. Arola, 2011, British Journal of Nutrition.

Locating the stabilizing residues in (α/β)8 barrel proteins based on hydrophobicity, long‐range interactions, and sequence conservation

Csaba Magyar, Gerard Pujadas, Samuel Selvaraj, 2004 .

Locating the stabilizing residues in (alpha/beta)8 barrel proteins based on hydrophobicity, long-range interactions, and sequence conservation.

Csaba Magyar, Gerard Pujadas, Samuel Selvaraj, 2004, Proteins.

Molecular mimicry of substrate oxygen atoms by water molecules in the β‐amylase active site

G. Pujadas, J. Palau, J Palau, 2001, Protein science : a publication of the Protein Society.

DPP-IV, An Important Target for Antidiabetic Functional Food Design

Adrià Cereto-Massagué, María José Ojeda, Cristina Valls, 2014 .

Ephedrine as a lead compound for the development of new DPP-IV inhibitors.

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2017, Future medicinal chemistry.

Procyanidin dimer B1 and trimer C1 impair inflammatory response signalling in human monocytes

G. Pujadas, P. Palozza, X. Terra, 2011, Free radical research.

Combined Ligand‐ and Receptor‐Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2018, ChemMedChem.

Resveratrol Potently Counteracts Quercetin Starvation‐Induced Autophagy and Sensitizes HepG2 Cancer Cells to Apoptosis

M. Mulero, S. Garcia-Vallvé, G. Pujadas, 2018, Molecular nutrition & food research.

Identification of Human IKK-2 Inhibitors of Natural Origin (Part I): Modeling of the IKK-2 Kinase Domain, Virtual Screening and Activity Assays

V. Zoete, M. Mulero, S. Garcia-Vallvé, 2011, PloS one.

3D-QSAR Study of Pyridine Derivates as IKK-2 Inhibitors

J. M. Mateo-Sanz, S. Garcia-Vallvé, G. Pujadas, 2009 .

Evolution of beta-amylase: patterns of variation and conservation in subfamily sequences in relation to parsimony mechanisms.

G. Pujadas, J. Palau, F. M. Ramírez, 1996, Proteins.

Evolution of β‐amylase: Patterns of variation and conservation in subfamily sequences in relation to parsimony mechanisms

G. Pujadas, J. Palau, F. M. Ramírez, 1996 .

Effects of a grapeseed procyanidin extract (GSPE) on insulin resistance.

G. Pujadas, M. Pinent, A. Ardévol, 2010, The Journal of nutritional biochemistry.

TIM-barrel research in the genomic and proteomic era

G. Pujadas, 2002 .

Anti-inflammatory and Proapoptotic Properties of the Natural Compound o-Orsellinaldehyde.

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2018, Journal of agricultural and food chemistry.

Procyanidins modify insulinemia by affecting insulin production and degradation.

S. Garcia-Vallvé, G. Pujadas, M. Motilva, 2012, The Journal of nutritional biochemistry.

Modulatory effect of grape-seed procyanidins on local and systemic inflammation in diet-induced obesity rats.

G. Pujadas, X. Terra, A. Ardévol, 2011, The Journal of nutritional biochemistry.

A trimer plus a dimer-gallate reproduce the bioactivity described for an extract of grape seed procyanidins

G. Pujadas, X. Terra, A. Ardévol, 2009 .

Dietary catechins and procyanidins modulate zinc homeostasis in human HepG2 cells.

G. Pujadas, A. Ardévol, L. Arola, 2011, The Journal of nutritional biochemistry.

Inhibitory effects of grape seed procyanidins on foam cell formation in vitro.

G. Pujadas, X. Terra, A. Ardévol, 2009, Journal of agricultural and food chemistry.

Grape seed procyanidins inhibit the expression of metallothione in genes in human HepG2 cells

G. Pujadas, A. Ardévol, L. Arola, 2007, Genes & Nutrition.

Peroxisome Proliferator-Activated Receptor γ (PPARγ) and Ligand Choreography: Newcomers Take the Stage.

M. Mulero, S. Garcia-Vallvé, G. Pujadas, 2015, Journal of medicinal chemistry.

Grape seed-derived procyanidins decrease dipeptidyl-peptidase 4 activity and expression.

S. Garcia-Vallvé, G. Pujadas, M. Pinent, 2012, Journal of agricultural and food chemistry.

Grape-seed procyanidins prevent low-grade inflammation by modulating cytokine expression in rats fed a high-fat diet.

G. Pujadas, X. Terra, A. Ardévol, 2009, The Journal of nutritional biochemistry.

Characterization of the activity and stability of amylase from saliva and detergent: Laboratory practicals for studying the activity and stability of amylase from saliva and various commercial detergents

Cristina Valls, M. Mulero, G. Pujadas, 2012, Biochemistry and molecular biology education : a bimonthly publication of the International Union of Biochemistry and Molecular Biology.

Characterization of the protease activity of detergents laboratory practicals for studying the protease profile and activity of various commercial detergents

Cristina Valls, M. Mulero, G. Pujadas, 2011 .

Prediction of Recurrent Mutations in SARS-CoV-2 Using Artificial Neural Networks

Adrià Cereto-Massagué, S. Garcia-Vallvé, G. Pujadas, 2022, International journal of molecular sciences.

Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity.

Aurélien Grosdidier, Olivier Michielin, Vincent Zoete, 2011, European journal of medicinal chemistry.

Mining large databases to find new leads with low similarity to known actives: application to find new DPP-IV inhibitors.

Gerhard Wolber, Adrià Cereto-Massagué, Cristina Valls, 2019, Future medicinal chemistry.

Identification of PPARgamma Partial Agonists of Natural Origin (II): In Silico Prediction in Natural Extracts with Known Antidiabetic Activity

Laura Guasch, Miquel Mulero, Gerard Pujadas, 2013, PloS one.

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part II): In Silico Prediction in Antidiabetic Extracts

Laura Guasch, Miquel Mulero, Gerard Pujadas, 2012, PloS one.

Inhibition of Angiotensin-Converting Enzyme Activity by Flavonoids: Structure-Activity Relationship Studies

S. Garcia-Vallvé, G. Pujadas, L. Arola, 2012, PloS one.

Dietary procyanidins enhance transcriptional activity of bile acid-activated FXR in vitro and reduce triglyceridemia in vivo in a FXR-dependent manner.

D. Moore, G. Pujadas, A. Ardévol, 2009, Molecular nutrition & food research.

Procyanidin Effects on Adipocyte-Related Pathologies

G. Pujadas, M. Pinent, A. Ardévol, 2006, Critical reviews in food science and nutrition.

Haste makes waste: A critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition

Adrià Cereto-Massagué, S. Garcia-Vallvé, G. Pujadas, 2021, Medicinal research reviews.

Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition

Adrià Cereto-Massagué, Gerard Pujadas, Santiago Garcia-Vallvé, 2020, International journal of molecular sciences.

Grape-seed procyanidins act as antiinflammatory agents in endotoxin-stimulated RAW 264.7 macrophages by inhibiting NFkB signaling pathway.

G. Pujadas, X. Terra, A. Ardévol, 2007, Journal of agricultural and food chemistry.

Activity and selectivity cliffs for DPP‐IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening

Adrià Cereto-Massagué, Miquel Mulero, Gerard Pujadas, 2018, Medicinal research reviews.

Dietary procyanidins lower triglyceride levels signaling through the nuclear receptor small heterodimer partner.

D. Moore, G. Pujadas, A. Ardévol, 2008, Molecular nutrition & food research.

The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites

Adrià Cereto-Massagué, Cristina Valls, Miquel Mulero, 2013, Journal of Cheminformatics.

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

Adrià Cereto-Massagué, María José Ojeda, Cristina Valls, 2012, PloS one.

Structural insights for the design of new PPARgamma partial agonists with high binding affinity and low transactivation activity

Laura Guasch, Cristina Valls, Miquel Mulero, 2011, J. Comput. Aided Mol. Des..

Multiple Peroxisome Proliferator‐Activated Receptor‐Based Ligands

Cristina Valls, M. Mulero, S. Garcia-Vallvé, 2017 .

Identification of PPARgamma Partial Agonists of Natural Origin (I): Development of a Virtual Screening Procedure and In Vitro Validation

Klaus R. Liedl, Gerhard Wolber, Laura Guasch, 2012, PloS one.

Development of docking-based 3D-QSAR models for PPARgamma full agonists.

Laura Guasch, Miquel Mulero, Gerard Pujadas, 2012, Journal of molecular graphics & modelling.

A Review of the Current Landscape of SARS-CoV-2 Main Protease Inhibitors: Have We Hit the Bullseye Yet?

S. Garcia-Vallvé, G. Pujadas, Bryan Saldivar-Espinoza, 2021, International journal of molecular sciences.

Oligomers of grape-seed procyanidin extract activate the insulin receptor and key targets of the insulin signaling pathway differently from insulin.

G. Pujadas, I. Pirson, M. Pinent, 2010, The Journal of nutritional biochemistry.

In vivo, in vitro, and in silico studies of Cu/Zn-superoxide dismutase regulation by molecules in grape seed procyanidin extract.

G. Pujadas, A. Ardévol, L. Arola, 2009, Journal of agricultural and food chemistry.

Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening

M. Mulero, S. Garcia-Vallvé, G. Pujadas, 2021, Molecules.

SRide: a server for identifying stabilizing residues in proteins

M. Michael Gromiha, Csaba Magyar, István Simon, 2005, Nucleic Acids Res..

Moderate red-wine consumption partially prevents body weight gain in rats fed a hyperlipidic diet.

G. Pujadas, A. Ardévol, L. Arola, 2006, The Journal of nutritional biochemistry.

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets

Adrià Cereto-Massagué, Laura Guasch, Cristina Valls, 2012, Bioinform..

Differential effects of grape-seed derived procyanidins on adipocyte differentiation markers in different in vivo situations

G. Pujadas, A. Ardévol, L. Arola, 2007, Genes & Nutrition.

How do Detergents Work? A Qualitative Assay to Measure Amylase Activity

Cristina Valls, M. Mulero, G. Pujadas, 2016 .

Recent advances in the development of methyltransferase (MTase) inhibitors against (re)emerging arboviruses diseases dengue and Zika.

G. Pujadas, G. Rivera, A. Moreno-Herrera, 2023, European journal of medicinal chemistry.

Independent folding of the A and B domains in the -amylase family

G. Pujadas, J. aumePalau, 2002 .

The Mutational Landscape of SARS-CoV-2

Adrià Cereto-Massagué, G. Pujadas, P. Puigbò, 2023, International journal of molecular sciences.

Could nucleocapsid be a next-generation COVID-19 vaccine candidate?

G. Pujadas, Bryan Saldivar-Espinoza, Guillem Macip, 2022, International Journal of Infectious Diseases.

Resveratrol Enhances Palmitate-Induced ER Stress and Apoptosis in Cancer Cells

Cristina Valls, M. Mulero, G. Pujadas, 2014, PloS one.

In silico identification of red wine catechin binding sites on human and rat serotransferrins

G. Pujadas, M. Blay, A. Ardévol, 2007, Genes & Nutrition.

Anti-Inflammatory and Immunomodulatory Effects of the Grifola frondosa Natural Compound o-Orsellinaldehyde on LPS-Challenged Murine Primary Glial Cells. Roles of NF-κβ and MAPK

M. Mulero, G. Pujadas, R. Beltrán-Debón, 2021, Pharmaceutics.

Identification of N-Acyl Hydrazones as New Non-Zinc-Binding MMP-13 Inhibitors by Structure-Based Virtual Screening Studies and Chemical Optimization

G. Pujadas, S. Nencetti, E. Nuti, 2023, International journal of molecular sciences.

Evolution of α-Amylases: Architectural Features and Key Residues in the Stabilization of the (β/α)8 Scaffold

G. Pujadas, J. Palau, 2001 .

Tools for in silico target fishing.

Adrià Cereto-Massagué, María José Ojeda, Cristina Valls, 2015, Methods.

The lipid-lowering effect of dietary proanthocyanidins in rats involves both chylomicron-rich and VLDL-rich fractions

G. Pujadas, L. Arola, M. Salvadó, 2011, British Journal of Nutrition.

In vivo, in vitro, and in silico studies of Cu/Zn-superoxide dismutase regulation by molecules in grape seed procyanidin extract.

G. Pujadas, A. Ardévol, L. Arola, 2009, Journal of agricultural and food chemistry.

BDT: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock

G. Pujadas, A. Arola-Arnal, M. Vaqué, 2006, Bioinform..

Evolution of alpha-amylases: architectural features and key residues in the stabilization of the (beta/alpha)(8) scaffold.

G. Pujadas, J. Palau, 2001, Molecular biology and evolution.

Evolution of (cid:97) -Amylases: Architectural Features and Key Residues in the Stabilization of the ( (cid:98) / (cid:97) ) 8 Scaffold

G. Pujadas, J. Palau, 2022 .

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2012, Bioinform..