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List of works by Gerard Pujadas

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

article by Gemma Montagut et al published September 2009 in Food Chemistry

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

scientific article published on 16 April 2018

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

scientific article published on 23 May 2006

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

scientific article published on 18 June 2012

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

scientific article published on 01 July 2011

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

scientific article published on 23 August 2018

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

scientific article

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

scientific article published on 14 March 2012

Dietary catechins and procyanidins modulate zinc homeostasis in human HepG2 cells

scientific article

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

scientific article

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

scientific article

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

scientific article published on October 2007

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

scientific article published on 4 December 2009

Erratum to “Moderate red-wine consumption partially prevents body weight gain in rats fed a hyperlipidic diet” [J Nutr Biochem 17 (2006) 139-142]

scholarly article published in Journal of Nutritional Biochemistry

Grape Seed-Derived Procyanidins Decrease Dipeptidyl-peptidase 4 Activity and Expression

scientific article published on 30 August 2012

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

scientific article published on October 2007

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

scientific article (publication date: 30 May 2007)

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

scientific article published on 7 July 2008

Identification of PPARgamma partial agonists of natural origin (I): development of a virtual screening procedure and in vitro validation

scientific article

Identification of PPARgamma partial agonists of natural origin (II): in silico prediction in natural extracts with known antidiabetic activity

scientific article

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

scientific article published on 22 September 2011

Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays

scientific article

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (Part II): in silico prediction in antidiabetic extracts

scientific article

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays

scientific article

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

scientific article published on October 2007

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

scientific article published on May 2009

Inhibition of angiotensin-converting enzyme activity by flavonoids: structure-activity relationship studies.

scientific article

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

scientific article published on March 2009

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

scientific article published in May 2004

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

scientific article published on 01 June 2019

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

scientific article published on 23 July 2010

Molecular fingerprint similarity search in virtual screening

scientific article

Molecular mimicry of substrate oxygen atoms by water molecules in the beta-amylase active site.

scientific article published on August 2001

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

scientific article published on 14 May 2009

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

scientific article published on May 2011

Procyanidin effects on adipocyte-related pathologies.

scientific article published on January 2006

Procyanidins modify insulinemia by affecting insulin production and degradation

scientific article published on 22 March 2012

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

scientific article published on 21 June 2011

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

scientific article published on 19 March 2019

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

scientific article published on 29 July 2013

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

scientific article published on 20 October 2011

Tools for in silico target fishing

scientific article published on 30 September 2014

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