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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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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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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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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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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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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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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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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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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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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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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 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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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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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

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

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

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

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

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

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

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

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)

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

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

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

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

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