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

PloS one, 2012-11, Vol.7 (11), p.e50816

2012

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Validated Capillary Zone Electrophoresis Method for Impurity Profiling and Determination of NiII(3-OMe-Salophene)

Separations, 2022-01, Vol.9 (2), p.25

2022

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The Role of Orthosteric Building Blocks of Bitopic Ligands for Muscarinic M1 Receptors

ACS omega, 2020-12, Vol.5 (49), p.31706-31715

2020

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

BMC chemistry, 2017-10, Vol.11 (1), p.1, Article 103

2017

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Functional characterization and mechanistic modeling of the human cytochrome P450 enzyme CYP4A22

FEBS letters, 2019-08, Vol.593 (16), p.2214-2225

2019

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

FEBS open bio, 2014-01, Vol.4 (1), p.659-671

2014

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Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

The Journal of biological chemistry, 2016-07, Vol.291 (31), p.16375-16389

2016

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A common polymorphic variant of UGT1A5 displays increased activity due to optimized cofactor binding

FEBS letters, 2018-06, Vol.592 (11), p.1837-1846

2018

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Molecular insight on the binding of NNRTI to K103N mutated HIV-1 RT: molecular dynamics simulations and dynamic pharmacophore analysis

Molecular bioSystems, 2016-01, Vol.12 (11), p.3385-3395

2016

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3D pharmacophore alignments: does improved geometric accuracy affect virtual screening performance?

Journal of cheminformatics, 2010-05, Vol.2 (Suppl 1), p.O10-O10, Article O10

2010

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Design, synthesis, antibacterial activity evaluation and molecular modeling studies of new sulfonamides containing a sulfathiazole moiety

New journal of chemistry, 2021-05, Vol.45 (18), p.8166-8177

2021

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A convenient test system for the identification of CYP4V2 inhibitors

Molecular vision, 2021, Vol.27, p.601-607

2021

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A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota

RSC medicinal chemistry, 2020-12, Vol.11 (12), p.142-1412

2020

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A common polymorphic variant of UGT 1A5 displays increased activity due to optimized cofactor binding

FEBS letters, 2018-06, Vol.592 (11), p.1837-1846

2018

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N-Phenethyl Substitution in 14-Methoxy-N-methylmorphinan-6-ones Turns Selective µ Opioid Receptor Ligands into Dual µ/δ Opioid Receptor Agonists

Scientific reports, 2020-03, Vol.10 (1), p.5653-5653, Article 5653

2020

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

Scientific reports, 2017-10, Vol.7 (1), p.13616-9, Article 13616

2017

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Combining pharmacophore- and MD-based modelling for phase II metabolism prediction

Journal of cheminformatics, 2014-03, Vol.6 (Suppl 1), p.O15-O15, Article O15

2014

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Dualsteric modulators of the M2 muscarinic acetylcholine receptor

Journal of cheminformatics, 2014-03, Vol.6 (Suppl 1), p.P40-P40, Article P40

2014

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Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors

ACS medicinal chemistry letters, 2020-04, Vol.11 (4), p.514-520

2020

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Ecdysteroids: A novel class of anabolic agents?

Biology of sport, 2015-01, Vol.32 (2), p.169-173

2015

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Discovery of novel α-amylase inhibitors using structure-based drug design

Journal of cheminformatics, 2014-03, Vol.6 (Suppl 1), p.P50-P50, Article P50

2014

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Interruption of the Ionic Lock in the Bradykinin B 2 Receptor Results in Constitutive Internalization and Turns Several Antagonists into Strong Agonists

The Journal of pharmacology and experimental therapeutics, 2013-01, Vol.344 (1), p.85-95

2013

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Interruption of the ionic lock in the bradykinin B2 receptor results in constitutive internalization and turns several antagonists into strong agonists

The Journal of pharmacology and experimental therapeutics, 2013-01, Vol.344 (1), p.85

2013

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Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT 2B Receptors

International journal of molecular sciences, 2020-12, Vol.21 (24)

2020

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Novel pharmacological chaperones that correct phenylketonuria in mice

Human molecular genetics, 2012-04, Vol.21 (8), p.1877-1887

2012

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

Validated Capillary Zone Electrophoresis Method for Impurity Profiling and Determination of NiII(3-OMe-Salophene)

The Role of Orthosteric Building Blocks of Bitopic Ligands for Muscarinic M1 Receptors

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

Functional characterization and mechanistic modeling of the human cytochrome P450 enzyme CYP4A22

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

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

A common polymorphic variant of UGT1A5 displays increased activity due to optimized cofactor binding

Molecular insight on the binding of NNRTI to K103N mutated HIV-1 RT: molecular dynamics simulations and dynamic pharmacophore analysis

3D pharmacophore alignments: does improved geometric accuracy affect virtual screening performance?

Design, synthesis, antibacterial activity evaluation and molecular modeling studies of new sulfonamides containing a sulfathiazole moiety

A convenient test system for the identification of CYP4V2 inhibitors

A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota

A common polymorphic variant of UGT 1A5 displays increased activity due to optimized cofactor binding

N-Phenethyl Substitution in 14-Methoxy-N-methylmorphinan-6-ones Turns Selective µ Opioid Receptor Ligands into Dual µ/δ Opioid Receptor Agonists

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

Combining pharmacophore- and MD-based modelling for phase II metabolism prediction

Dualsteric modulators of the M2 muscarinic acetylcholine receptor

Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors

Ecdysteroids: A novel class of anabolic agents?

Discovery of novel α-amylase inhibitors using structure-based drug design

Interruption of the Ionic Lock in the Bradykinin B 2 Receptor Results in Constitutive Internalization and Turns Several Antagonists into Strong Agonists

Interruption of the ionic lock in the bradykinin B2 receptor results in constitutive internalization and turns several antagonists into strong agonists

Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT 2B Receptors

Novel pharmacological chaperones that correct phenylketonuria in mice

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