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Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis

Nature communications, 2020-06, Vol.11 (1), p.3216-3216, Article 3216

2020

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Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

ACS omega, 2016-08, Vol.1 (2), p.293-304

2016

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Intracellular Receptor Modulation: Novel Approach to Target GPCRs

Trends in pharmacological sciences (Regular ed.), 2018-06, Vol.39 (6), p.547-559

2018

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Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor

Journal of medicinal chemistry, 2019-04, Vol.62 (7), p.3539-3552

2019

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Sodium ion binding pocket mutations and adenosine A2A receptor function

Molecular pharmacology, 2015-02, Vol.87 (2), p.305-313

2015

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Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes

Journal of chemical information and modeling, 2019-03, Vol.59 (3), p.1221-1229

2019

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Scanning mutagenesis in a yeast system delineates the role of the NPxxY(x)(5,6)F motif and helix 8 of the adenosine A(2B) receptor in G protein coupling

Biochemical pharmacology, 2015-06, Vol.95 (4), p.290

2015

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Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5

Journal of medicinal chemistry, 2019-12, Vol.62 (24), p.11035-11053

2019

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Getting from A to B—exploring the activation motifs of the class B adhesion G protein‐coupled receptor subfamily G member 4/GPR112

The FASEB journal, 2016-05, Vol.30 (5), p.1836-1848

2016

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Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2

Journal of medicinal chemistry, 2018-10, Vol.61 (20), p.9146-9161

2018

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Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

MedChemComm, 2015-01, Vol.6 (1), p.24-5

2015

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Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor

Journal of chemical information and modeling, 2014-06, Vol.54 (6), p.1737-1746

2014

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Structure–Affinity Relationships and Structure–Kinetics Relationships of Pyrido[2,1‑f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists

Journal of medicinal chemistry, 2017-09, Vol.60 (17), p.7555-7568

2017

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Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2

Molecular pharmacology, 2014-10, Vol.86 (4), p.358-368

2014

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Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists

European journal of medicinal chemistry, 2015-08, Vol.101, p.681-691

2015

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5′-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor

Journal of medicinal chemistry, 2016-05, Vol.59 (10), p.4769-4777

2016

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Kinetics of human cannabinoid 1 (CB1) receptor antagonists: Structure-kinetics relationships (SKR) and implications for insurmountable antagonism

Biochemical pharmacology, 2018-05, Vol.151, p.166-179

2018

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Removal of Human Ether-à-go-go Related Gene (hERG) K+ Channel Affinity through Rigidity: A Case of Clofilium Analogues

Journal of medicinal chemistry, 2013-12, Vol.56 (23), p.9427-9440

2013

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In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor

Journal of computer-aided molecular design, 2016-10, Vol.30 (10), p.863-874

2016

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Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A 3 Receptor

Journal of medicinal chemistry, 2019-04, Vol.62 (7), p.3539-3552

2019

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Structure–Affinity Relationships and Structure–Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists

Journal of medicinal chemistry, 2017-12, Vol.60 (23), p.9545-9564

2017

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A covalent antagonist for the human adenosine A2A receptor

Purinergic signalling, 2017-06, Vol.13 (2), p.191-201

2017

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Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A1 receptor antagonists

European journal of medicinal chemistry, 2017-01, Vol.125, p.586-602

2017

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Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors

Bioorganic & medicinal chemistry, 2019-03, Vol.27 (5), p.692-699

2019

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Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A 3 Receptor Antagonists

Journal of medicinal chemistry, 2017-09, Vol.60 (17), p.7555-7568

2017

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Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

Intracellular Receptor Modulation: Novel Approach to Target GPCRs

Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor

Sodium ion binding pocket mutations and adenosine A2A receptor function

Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes

Scanning mutagenesis in a yeast system delineates the role of the NPxxY(x)(5,6)F motif and helix 8 of the adenosine A(2B) receptor in G protein coupling

Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5

Getting from A to B—exploring the activation motifs of the class B adhesion G protein‐coupled receptor subfamily G member 4/GPR112

Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor

Structure–Affinity Relationships and Structure–Kinetics Relationships of Pyrido[2,1‑f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists

Discovery and mapping of an intracellular antagonist binding site at the chemokine receptor CCR2

Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists

5′-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor

Kinetics of human cannabinoid 1 (CB1) receptor antagonists: Structure-kinetics relationships (SKR) and implications for insurmountable antagonism

Removal of Human Ether-à-go-go Related Gene (hERG) K+ Channel Affinity through Rigidity: A Case of Clofilium Analogues

In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor

Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A 3 Receptor

Structure–Affinity Relationships and Structure–Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists

A covalent antagonist for the human adenosine A2A receptor

Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A1 receptor antagonists

Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors

Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A 3 Receptor Antagonists

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