List of works - Thomas Balle

5-(Piperidin-4-yl)-3-Hydroxypyrazole: A Novel Scaffold for Probing the Orthosteric γ-Aminobutyric Acid Type A Receptor Binding Site

scientific article published on 26 August 2014

Acetylcholine-Binding Protein Engineered to Mimic the α4-α4 Binding Pocket in α4β2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity

scientific article

Brute-force pharmacophore assessment and scoring with Open3DQSAR.

scientific article published on 19 April 2011

CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

scientific article published on 16 August 2021

Concatenated nicotinic acetylcholine receptors: A gift or a curse?

scientific article published on 30 January 2018

Concatenated γ-aminobutyric acid type A receptors revisited: Finding order in chaos

scientific article published on 15 April 2019

Conformationally restrained carbamoylcholine homologues. Synthesis, pharmacology at neuronal nicotinic acetylcholine receptors and biostructural considerations

scientific article published in September 2015

Covalent attachment of antagonists to the α7 nicotinic acetylcholine receptor: synthesis and reactivity of substituted maleimides

scientific article published on 25 May 2012

Covalent trapping of methyllycaconitine at the α4-α4 interface of the α4β2 nicotinic acetylcholine receptor: antagonist binding site and mode of receptor inhibition revealed.

scientific article published on 26 July 2013

Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists.

scientific article

Discovery of novel α₁-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands.

scientific article published on 15 November 2012

Docking to flexible nicotinic acetylcholine receptors: a validation study using the acetylcholine binding protein.

scientific article published on 29 September 2010

Engineered α4β2 nicotinic acetylcholine receptors as models for measuring agonist binding and effect at the orthosteric low-affinity α4-α4 interface.

scientific article published on 13 January 2015

Exploration of the molecular architecture of the orthosteric binding site in the α4β2 nicotinic acetylcholine receptor with analogs of 3-(dimethylamino)butyl dimethylcarbamate (DMABC) and 1-(pyridin-3-yl)-1,4-diazepane

scientific article published on 17 July 2015

Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity for α(1)-adrenoceptors.

scientific article

From shellfish poisoning to neuroscience

scientific article published on 01 June 2015

Functional genomics of epilepsy-associated mutations in the GABAA receptor subunits reveal that one mutation impairs function and two are catastrophic

scientific article published on 06 February 2019

GABAA receptor partial agonists and antagonists: structure, binding mode, and pharmacology

scientific article

Galantamine is not a positive allosteric modulator of human α4β2 or α7 nicotinic acetylcholine receptors

scientific article published on 07 June 2018

Heterologous expression of concatenated nicotine acetylcholine receptors: pros and cons of subunit concatenation and recommendations for construct designs

scientific article published on 05 July 2020

Innate Immunity and Inflammation Post-Stroke: An α7-Nicotinic Agonist Perspective

scientific article

Ligand Binding at the 4-4 Agonist-Binding Site of the 42 nAChR Triggers Receptor Activation through a Pre-Activated Conformational State

scientific article

Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor

scientific article published on 26 September 2018

Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors

scientific article

Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.

scientific article published on April 2010

Novel Approach for the Search for Chemical Scaffolds with Dual Activity with Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor-A Perspective for the Treatment of Neurodegenerative Disorders

scientific article published on 27 January 2019

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment.

scientific article published on 27 July 2011

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.

scientific article published on 11 April 2010

Pinnatoxins E, F and G target multiple nicotinic receptor subtypes.

scientific article

Probing the molecular basis for affinity/potency- and efficacy-based subtype-selectivity exhibited by benzodiazepine-site modulators at GABAA receptors

scientific article published on 17 August 2018

Probing the orthosteric binding site of GABAA receptors with heterocyclic GABA carboxylic acid bioisosteres

scientific article published on 21 December 2013

Radiosynthesis and evaluation of new α1-adrenoceptor antagonists as PET radioligands for brain imaging.

scientific article

Revision of the classical dopamine D2 agonist pharmacophore based on an integrated medicinal chemistry, homology modelling and computational docking approach.

scientific article

Revisiting autosomal dominant nocturnal frontal lobe epilepsy (ADNFLE) mutations in the nicotinic acetylcholine receptor reveal an increase in efficacy regardless of stochiometry

scientific article published on 22 November 2018

SDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projects

scientific article published on 15 May 2011

Structural Studies of Nicotinic Acetylcholine Receptors: Using Acetylcholine-Binding Protein as a Structural Surrogate.

scientific article

Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at α4β2 nicotinic acetylcholine receptors

scientific article

Synthesis and Biological Evaluation of 4-(Aminomethyl)-1-hydroxypyrazole Analogues of Muscimol as γ-Aminobutyric AcidA Receptor Agonists

scientific article published on 23 January 2013

Synthesis and pharmacological evaluation of 6-aminonicotinic acid analogues as novel GABAA receptor agonists

scientific article published in September 2014

Synthesis, pharmacology, and biostructural characterization of novel α4β2 nicotinic acetylcholine receptor agonists

scientific article

Two distinct allosteric binding sites at α4β2 nicotinic acetylcholine receptors revealed by NS206 and NS9283 give unique insights to binding activity-associated linkage at Cys-loop receptors.

scientific article published on 29 October 2013

Tying up Nicotine: New Selective Competitive Antagonist of the Neuronal Nicotinic Acetylcholine Receptors.

scientific article published on 4 March 2015

Unraveling the high- and low-sensitivity agonist responses of nicotinic acetylcholine receptors.

scientific article published in July 2011

List of works by Thomas Balle

5-(Piperidin-4-yl)-3-Hydroxypyrazole: A Novel Scaffold for Probing the Orthosteric γ-Aminobutyric Acid Type A Receptor Binding Site

Acetylcholine-Binding Protein Engineered to Mimic the α4-α4 Binding Pocket in α4β2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity

Brute-force pharmacophore assessment and scoring with Open3DQSAR.

CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

Concatenated nicotinic acetylcholine receptors: A gift or a curse?

Concatenated γ-aminobutyric acid type A receptors revisited: Finding order in chaos

Conformationally restrained carbamoylcholine homologues. Synthesis, pharmacology at neuronal nicotinic acetylcholine receptors and biostructural considerations

Covalent attachment of antagonists to the α7 nicotinic acetylcholine receptor: synthesis and reactivity of substituted maleimides

Covalent trapping of methyllycaconitine at the α4-α4 interface of the α4β2 nicotinic acetylcholine receptor: antagonist binding site and mode of receptor inhibition revealed.

Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists.

Discovery of novel α₁-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands.

Docking to flexible nicotinic acetylcholine receptors: a validation study using the acetylcholine binding protein.

Engineered α4β2 nicotinic acetylcholine receptors as models for measuring agonist binding and effect at the orthosteric low-affinity α4-α4 interface.

Exploration of the molecular architecture of the orthosteric binding site in the α4β2 nicotinic acetylcholine receptor with analogs of 3-(dimethylamino)butyl dimethylcarbamate (DMABC) and 1-(pyridin-3-yl)-1,4-diazepane

Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity for α(1)-adrenoceptors.

From shellfish poisoning to neuroscience

Functional genomics of epilepsy-associated mutations in the GABAA receptor subunits reveal that one mutation impairs function and two are catastrophic

GABAA receptor partial agonists and antagonists: structure, binding mode, and pharmacology

Galantamine is not a positive allosteric modulator of human α4β2 or α7 nicotinic acetylcholine receptors

Heterologous expression of concatenated nicotine acetylcholine receptors: pros and cons of subunit concatenation and recommendations for construct designs

Innate Immunity and Inflammation Post-Stroke: An α7-Nicotinic Agonist Perspective

Ligand Binding at the 4-4 Agonist-Binding Site of the 42 nAChR Triggers Receptor Activation through a Pre-Activated Conformational State

Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor

Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors

Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.

Novel Approach for the Search for Chemical Scaffolds with Dual Activity with Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor-A Perspective for the Treatment of Neurodegenerative Disorders

Open3DALIGN: an open-source software aimed at unsupervised ligand alignment.

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields.

Pinnatoxins E, F and G target multiple nicotinic receptor subtypes.

Probing the molecular basis for affinity/potency- and efficacy-based subtype-selectivity exhibited by benzodiazepine-site modulators at GABAA receptors

Probing the orthosteric binding site of GABAA receptors with heterocyclic GABA carboxylic acid bioisosteres

Radiosynthesis and evaluation of new α1-adrenoceptor antagonists as PET radioligands for brain imaging.

Revision of the classical dopamine D2 agonist pharmacophore based on an integrated medicinal chemistry, homology modelling and computational docking approach.

Revisiting autosomal dominant nocturnal frontal lobe epilepsy (ADNFLE) mutations in the nicotinic acetylcholine receptor reveal an increase in efficacy regardless of stochiometry

SDF2XYZ2SDF: how to exploit TINKER power in cheminformatics projects

Structural Studies of Nicotinic Acetylcholine Receptors: Using Acetylcholine-Binding Protein as a Structural Surrogate.

Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at α4β2 nicotinic acetylcholine receptors

Synthesis and Biological Evaluation of 4-(Aminomethyl)-1-hydroxypyrazole Analogues of Muscimol as γ-Aminobutyric AcidA Receptor Agonists

Synthesis and pharmacological evaluation of 6-aminonicotinic acid analogues as novel GABAA receptor agonists

Synthesis, pharmacology, and biostructural characterization of novel α4β2 nicotinic acetylcholine receptor agonists

Two distinct allosteric binding sites at α4β2 nicotinic acetylcholine receptors revealed by NS206 and NS9283 give unique insights to binding activity-associated linkage at Cys-loop receptors.

Tying up Nicotine: New Selective Competitive Antagonist of the Neuronal Nicotinic Acetylcholine Receptors.

Unraveling the high- and low-sensitivity agonist responses of nicotinic acetylcholine receptors.