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Complete Reaction Phenotyping of Propranolol and 4-Hydroxypropranolol with the 19 Enzymes of the Human UGT1 and UGT2 Families

International journal of molecular sciences, 2022-07, Vol.23 (13), p.7476

2022

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Author Correction: Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins

Nature communications, 2024-05, Vol.15 (1), p.4323-4323, Article 4323

2024

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Development of an HPLC-MS/MS Method for Chiral Separation and Quantitation of (R)- and (S)-Salbutamol and Their Sulfoconjugated Metabolites in Urine to Investigate Stereoselective Sulfonation

Molecules (Basel, Switzerland), 2023-10, Vol.28 (20), p.7206

2023

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Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT2B Receptors

International journal of molecular sciences, 2020-12, Vol.21 (24), p.9728

2020

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Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments

Nature communications, 2016-09, Vol.7 (1), p.12761-12761, Article 12761

2016

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Disrupting TSLP–TSLP receptor interactions via putative small molecule inhibitors yields a novel and efficient treatment option for atopic diseases

EMBO molecular medicine, 2024-06, Vol.16 (7), p.1630-1656

2024

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Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I

Frontiers in microbiology, 2023-05, Vol.14, p.1197120-1197120

2023

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Mind the Gap—Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence

Pharmaceuticals (Basel, Switzerland), 2022-10, Vol.15 (11), p.1304

2022

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In Vitro, In Vivo and In Silico Characterization of a Novel Kappa-Opioid Receptor Antagonist

Pharmaceuticals (Basel, Switzerland), 2022-05, Vol.15 (6), p.680

2022

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Functional Expression of All Human Sulfotransferases in Fission Yeast, Assay Development, and Structural Models for Isoforms SULT4A1 and SULT6B1

Biomolecules (Basel, Switzerland), 2020-11, Vol.10 (11), p.1517

2020

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Changes in Alprazolam Metabolism by CYP3A43 Mutants

Biomedicines, 2022-11, Vol.10 (12), p.3022

2022

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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

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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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 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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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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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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Ecdysteroids: A novel class of anabolic agents?

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

2015

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Complete Reaction Phenotyping of Propranolol and 4-Hydroxypropranolol with the 19 Enzymes of the Human UGT1 and UGT2 Families

Author Correction: Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins

Development of an HPLC-MS/MS Method for Chiral Separation and Quantitation of (R)- and (S)-Salbutamol and Their Sulfoconjugated Metabolites in Urine to Investigate Stereoselective Sulfonation

Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT2B Receptors

Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments

Disrupting TSLP–TSLP receptor interactions via putative small molecule inhibitors yields a novel and efficient treatment option for atopic diseases

Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I

Mind the Gap—Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence

In Vitro, In Vivo and In Silico Characterization of a Novel Kappa-Opioid Receptor Antagonist

Functional Expression of All Human Sulfotransferases in Fission Yeast, Assay Development, and Structural Models for Isoforms SULT4A1 and SULT6B1

Changes in Alprazolam Metabolism by CYP3A43 Mutants

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)

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 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

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

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

Ecdysteroids: A novel class of anabolic agents?

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