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Solving an Old Puzzle: Elucidation and Evaluation of the Binding Mode of Salvinorin A at the Kappa Opioid Receptor

Molecules (Basel, Switzerland), 2023-01, Vol.28 (2), p.718

2023

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Mechanistic Characterization of the Pharmacological Profile of HS-731, a Peripherally Acting Opioid Analgesic, at the µ-, δ-, κ-Opioid and Nociceptin Receptors

Molecules (Basel, Switzerland), 2022-01, Vol.27 (3), p.919

2022

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Identification of New Substrates and Inhibitors of Human CYP2A7

Molecules (Basel, Switzerland), 2024-05, Vol.29 (10), p.2191

2024

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HuskinDB, a database for skin permeation of xenobiotics

Scientific data, 2020-12, Vol.7 (1), p.426, Article 426

2020

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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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Antinociceptive Efficacy of the µ-Opioid/Nociceptin Peptide-Based Hybrid KGNOP1 in Inflammatory Pain without Rewarding Effects in Mice: An Experimental Assessment and Molecular Docking

Molecules (Basel, Switzerland), 2021-05, Vol.26 (11), p.3267

2021

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

Nature communications, 2024-04, Vol.15 (1), p.3537-3537, Article 3537

2024

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NSC23766, a widely used inhibitor of Rac1 activation, additionally acts as a competitive antagonist at muscarinic acetylcholine receptors

The Journal of pharmacology and experimental therapeutics, 2013-10, Vol.347 (1), p.69-79

2013

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In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations

The Journal of biological chemistry, 2016-01, Vol.291 (1), p.58-71

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, 2024-07, 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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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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Corticosteroid Biosynthesis Revisited: No Direct Hydroxylation of Pregnenolone by Steroid 21-Hydroxylase

Frontiers in endocrinology (Lausanne), 2021-06, Vol.12, p.633785-633785

2021

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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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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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Solving an Old Puzzle: Elucidation and Evaluation of the Binding Mode of Salvinorin A at the Kappa Opioid Receptor

Mechanistic Characterization of the Pharmacological Profile of HS-731, a Peripherally Acting Opioid Analgesic, at the µ-, δ-, κ-Opioid and Nociceptin Receptors

Identification of New Substrates and Inhibitors of Human CYP2A7

HuskinDB, a database for skin permeation of xenobiotics

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

Antinociceptive Efficacy of the µ-Opioid/Nociceptin Peptide-Based Hybrid KGNOP1 in Inflammatory Pain without Rewarding Effects in Mice: An Experimental Assessment and Molecular Docking

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

NSC23766, a widely used inhibitor of Rac1 activation, additionally acts as a competitive antagonist at muscarinic acetylcholine receptors

In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations

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

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

Corticosteroid Biosynthesis Revisited: No Direct Hydroxylation of Pregnenolone by Steroid 21-Hydroxylase

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

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?

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