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A Critical Assessment of Docking Programs and Scoring Functions

Journal of medicinal chemistry, 2006-10, Vol.49 (20), p.5912-5931

2006

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Identification and characterization of novel NMDA receptor antagonists selective for NR2A- over NR2B-containing receptors

The Journal of pharmacology and experimental therapeutics, 2010-12, Vol.335 (3), p.636

2010

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Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular Dynamics

Journal of chemical information and modeling, 2014-11, Vol.54 (11), p.3124-3136

2014

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5-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2(1H)-quinolinones and 3,4-dihydro-2(1H)-quinolinones: Dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors. Part 3

Bioorganic & medicinal chemistry letters, 2010-12, Vol.20 (23), p.7092-7096

2010

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Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8

Journal of chemical information and modeling, 2017-02, Vol.57 (2), p.159-169

2017

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Unbinding Pathways from the Glucocorticoid Receptor Shed Light on the Reduced Sensitivity of Glucocorticoid Ligands to a Naturally Occurring, Clinically Relevant Mutant Receptor

Journal of medicinal chemistry, 2013-09, Vol.56 (17), p.7003-7014

2013

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Discovery and Optimization of Pyridazinones as PI3Kδ Selective Inhibitors for Administration by Inhalation

Journal of medicinal chemistry, 2024-07, Vol.67 (13), p.11103-11124

2024

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Application of an “inhalation by design” approach to the identification and in-vitro evaluation of novel purine based PI3Kδ inhibitors

European journal of medicinal chemistry, 2023-06, Vol.254, p.115331-115331, Article 115331

2023

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Novel Pyrrolidine Derivatives of Budesonide as Long Acting Inhaled Corticosteroids for the Treatment of Pulmonary Inflammatory Diseases

Journal of medicinal chemistry, 2018-06, Vol.61 (11), p.4757-4773

2018

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Discovery of a Potent, Selective, and Orally Bioavailable Tool Compound for Probing the Role of Lysophosphatidic Acid Type 2 Receptor Antagonists in Fibrotic Disorders

Journal of medicinal chemistry, 2023-04, Vol.66 (8), p.5622-5656

2023

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GLIMPSED: An Improved Docking Protocol for Cognate Docking

Molecular informatics, 2016-09, Vol.35 (8-9), p.350-357

2016

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Atropisomerism and Conformational Equilibria: Impact on PI3Kδ Inhibition of 2‑((6-Amino‑9H‑purin-9-yl)methyl)-5-methyl-3‑(o‑tolyl)quinazolin-4(3H)‑one (IC87114) and Its Conformationally Restricted Analogs

Journal of medicinal chemistry, 2017-05, Vol.60 (10), p.4304-4315

2017

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Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8

Journal of chemical information and modeling, 2017-02, Vol.57 (2), p.386-386

2017

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1,2,4-Triazolyl Azabicyclo[3.1.0]hexanes: A New Series of Potent and Selective Dopamine D 3 Receptor Antagonists

Journal of medicinal chemistry, 2010-01, Vol.53 (1), p.374-391

2010

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Stable expression and functional characterization of a human nicotinic acetylcholine receptor with α6β2 properties: discovery of selective antagonists

British journal of pharmacology, 2011-05, Vol.163 (2), p.313-329

2011

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Triple monoamine uptake inhibitors

Pharmaceutical patent analyst, 2012-09, Vol.1 (4), p.469-481

2012

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1,2,4-Triazol-3-yl-thiopropyl-tetrahydrobenzazepines: A Series of Potent and Selective Dopamine D 3 Receptor Antagonists

Journal of medicinal chemistry, 2007-10, Vol.50 (21), p.5076-5089

2007

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1,2,4-Triazolyl Azabicyclo[3.1.0]hexanes: A New Series of Potent and Selective Dopamine D3 Receptor Antagonists

Journal of medicinal chemistry, 2010-01, Vol.53 (1), p.374-391

2010

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Exploration of the Amine Terminus in a Novel Series of 1,2,4-Triazolo-3-yl-azabicyclo[3.1.0]hexanes as Selective Dopamine D 3 Receptor Antagonists

Journal of medicinal chemistry, 2010-10, Vol.53 (19), p.7129-7139

2010

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1,2,4-Triazol-3-yl-thiopropyl-tetrahydrobenzazepines: A Series of Potent and Selective Dopamine D3 Receptor Antagonists

Journal of medicinal chemistry, 2007-10, Vol.50 (21), p.5076-5089

2007

Volltextzugriff (PDF)

In vitro and in vivo characterization of the novel GABA B receptor positive allosteric modulator, 2-{1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-2-piperidinyl}ethanol (CMPPE)

Neuropharmacology, 2011-10, Vol.61 (5), p.957-966

2011

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Exploration of the Amine Terminus in a Novel Series of 1,2,4-Triazolo-3-yl-azabicyclo[3.1.0]hexanes as Selective Dopamine D3 Receptor Antagonists

Journal of medicinal chemistry, 2010-10, Vol.53 (19), p.7129-7139

2010

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3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part I

Farmaco (Società chimica italiana : 1989), 2004-03, Vol.59 (3), p.175-183

2004

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A Critical Assessment of Docking Programs and Scoring Functions

Identification and characterization of novel NMDA receptor antagonists selective for NR2A- over NR2B-containing receptors

Heteroaryl-Substituted 4-(1H-pyrazol-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-d]pyrimidine Derivatives as Potent and Selective Corticotropin-Releasing Factor Receptor-1 Antagonists

Cyclopenta[d]pyrimidines and Dihydropyrrolo[2,3-d]pyrimidines as Potent and Selective Corticotropin-Releasing Factor 1 Receptor Antagonists

Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular Dynamics

5-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2(1H)-quinolinones and 3,4-dihydro-2(1H)-quinolinones: Dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors. Part 3

Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8

Unbinding Pathways from the Glucocorticoid Receptor Shed Light on the Reduced Sensitivity of Glucocorticoid Ligands to a Naturally Occurring, Clinically Relevant Mutant Receptor

Discovery and Optimization of Pyridazinones as PI3Kδ Selective Inhibitors for Administration by Inhalation

Application of an “inhalation by design” approach to the identification and in-vitro evaluation of novel purine based PI3Kδ inhibitors

Novel Pyrrolidine Derivatives of Budesonide as Long Acting Inhaled Corticosteroids for the Treatment of Pulmonary Inflammatory Diseases

Discovery of a Potent, Selective, and Orally Bioavailable Tool Compound for Probing the Role of Lysophosphatidic Acid Type 2 Receptor Antagonists in Fibrotic Disorders

GLIMPSED: An Improved Docking Protocol for Cognate Docking

Atropisomerism and Conformational Equilibria: Impact on PI3Kδ Inhibition of 2‑((6-Amino‑9H‑purin-9-yl)methyl)-5-methyl-3‑(o‑tolyl)quinazolin-4(3H)‑one (IC87114) and Its Conformationally Restricted Analogs

Correction to Metadynamics Simulations Distinguish Short- and Long-Residence-Time Inhibitors of Cyclin-Dependent Kinase 8

1,2,4-Triazolyl Azabicyclo[3.1.0]hexanes: A New Series of Potent and Selective Dopamine D 3 Receptor Antagonists

Stable expression and functional characterization of a human nicotinic acetylcholine receptor with α6β2 properties: discovery of selective antagonists

Triple monoamine uptake inhibitors

1,2,4-Triazol-3-yl-thiopropyl-tetrahydrobenzazepines: A Series of Potent and Selective Dopamine D 3 Receptor Antagonists

1,2,4-Triazolyl Azabicyclo[3.1.0]hexanes: A New Series of Potent and Selective Dopamine D3 Receptor Antagonists

Exploration of the Amine Terminus in a Novel Series of 1,2,4-Triazolo-3-yl-azabicyclo[3.1.0]hexanes as Selective Dopamine D 3 Receptor Antagonists

1,2,4-Triazol-3-yl-thiopropyl-tetrahydrobenzazepines: A Series of Potent and Selective Dopamine D3 Receptor Antagonists

In vitro and in vivo characterization of the novel GABA B receptor positive allosteric modulator, 2-{1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-2-piperidinyl}ethanol (CMPPE)

Exploration of the Amine Terminus in a Novel Series of 1,2,4-Triazolo-3-yl-azabicyclo[3.1.0]hexanes as Selective Dopamine D3 Receptor Antagonists

3-Methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester: an exploration of the C-2 position. Part I

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