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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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Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands

PloS one, 2019-06, Vol.14 (6), p.e0218820-e0218820

2019

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Mechanistic Understanding of Peptide Analogues, DALDA, [Dmt 1 ]DALDA, and KGOP01, Binding to the mu Opioid Receptor

Molecules (Basel, Switzerland), 2020-04, Vol.25 (9), p.2087

2020

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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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In Search for Multi-Target Ligands as Potential Agents for Diabetes Mellitus and Its Complications-A Structure-Activity Relationship Study on Inhibitors of Aldose Reductase and Protein Tyrosine Phosphatase 1B

Molecules (Basel, Switzerland), 2021-01, Vol.26 (2), p.330

2021

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Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα

International journal of molecular sciences, 2021-12, Vol.22 (24), p.13474

2021

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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, 2024-07, Vol.16 (7), p.1630-1656

2024

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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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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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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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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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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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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

Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands

Mechanistic Understanding of Peptide Analogues, DALDA, [Dmt 1 ]DALDA, and KGOP01, Binding to the mu Opioid Receptor

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

In Search for Multi-Target Ligands as Potential Agents for Diabetes Mellitus and Its Complications-A Structure-Activity Relationship Study on Inhibitors of Aldose Reductase and Protein Tyrosine Phosphatase 1B

Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα

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

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

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

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

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

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

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