List of works - Agnieszka Kaczor

1,2,4-Triazolin-5-thione derivatives with anticancer activity as CK1γ kinase inhibitors

scientific article published on 02 April 2020

2,4-Dichlorophenoxyacetic Thiosemicarbazides as a New Class of Compounds Against Stomach Cancer Potentially Intercalating with DNA

scientific article published on 13 February 2020

3D confocal Raman imaging of endothelial cells and vascular wall: perspectives in analytical spectroscopy of biomedical research ⬇️

scientific article published on January 21, 2013

Activation and Allosteric Modulation of Human μ Opioid Receptor in Molecular Dynamics

scientific article published on 30 October 2015

Allosteric modulation of dopamine D2L receptor in complex with Gi1 and Gi2 proteins: the effect of subtle structural and stereochemical ligand modifications

scientific article published on 22 January 2022

Application of BRET for studying G protein-coupled receptors.

scientific article published on May 2014

Challenges and Opportunities in Drug Discovery of Biased Ligands

scientific article published in January 2018

Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors

scientific article published on 22 October 2013

Comparative molecular field analysis and molecular dynamics studies of the dopamine D2 receptor antagonists without a protonatable nitrogen atom.

scientific article

Comparative molecular field analysis and molecular dynamics studies of α/β hydrolase domain containing 6 (ABHD6) inhibitors

scientific article published on 8 September 2015

Computational methods for studying G protein-coupled receptors (GPCRs).

scientific article published on 24 December 2015

Corrigendum to "In vitro, molecular modeling and behavioral studies of '3-{[4-(5-methoxy-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]methyl}-1,2-dihydroquinolin-2-one (D2AAK1) as a potential antipsychotic" [Neurochem. Int. 96 (2016) 84-99]

scientific article published on 01 November 2016

Crystal Structure of 1-(4-Chlorophenyl)-5(1H)-oxo-2,3-dihydroimidazo[1,2-a]-pyrimidine-6-carbonitrile

Current Concepts and Treatments of Schizophrenia

scientific article published on 20 August 2018

Development and Characterization of Novel Selective, Non-Basic Dopamine D2 Receptor Antagonists for the Treatment of Schizophrenia

scientific article published in 2023

Discovery of nitroaryl urea derivatives with antiproliferative properties

scientific article

Do new N-substituted 3-amino-4-phenyl-5-oxo-pyrazolinecarboxamide derivatives exhibit antitubercular potential?

scientific article published on 24 May 2018

Experimental and computational studies on the tautomerism of N-substituted 3-amino-5-oxo-4-phenyl-1H-pyrazolo-1-carboxamides with antibacterial activity

Experimental and theoretical investigations on the keto–enol tautomerism of 4-substituted 3-[1-methylpyrrol-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives

Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function

scientific article published on 29 May 2012

In Vitro Screening of Some Heterocyclic Compounds Against Human ABHD6 and ABHD12 Hydrolases

In Vitro and In Vivo Models for the Investigation of Potential Drugs Against Schizophrenia

scientific article published on 19 January 2020

In silico Exploration of the Conformational Universe of GPCRs.

scientific article

Interplay between Two Allosteric Sites and Their Influence on Agonist Binding in Human μ Opioid Receptor

scientific article

Investigation of novel ropinirole analogues: synthesis, pharmacological evaluation and computational analysis of dopamine D2 receptor functionalized congeners and homobivalent ligands

scholarly article by Manuela Jörg et al published 2014 in MedChemComm

In vitro, molecular modeling and behavioral studies of 3-{[4-(5-methoxy-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]methyl}-1,2-dihydroquinolin-2-one (D2AAK1) as a potential antipsychotic.

scientific article published on 7 March 2016

Modeling Complexes of Transmembrane Proteins: Systematic Analysis of ProteinProtein Docking Tools

scientific article published on 6 August 2013

Modeling of glutamate GluR6 receptor and its interactions with novel noncompetitive antagonists

scientific article

Modeling the Active Conformation of Human µ Opioid Receptor

Molecular interactions of type I and type II positive allosteric modulators with the human α7 nicotinic acetylcholine receptor: An in silico study.

scientific article published on 24 January 2018

Molecular mechanisms of allosteric probe dependence in μ opioid receptor

scientific article

Molecular structure of ionotropic glutamate receptors.

scientific article published on January 2010

Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors

scientific article published on 27 March 2015

Multi-Target Approach for Drug Discovery against Schizophrenia

scientific article published on 10 October 2018

Multi-targeted drug design strategies for the treatment of schizophrenia

scientific article published on 11 September 2020

N-(2-Hydroxyphenyl)-1-[3-(2-oxo-2,3-dihydro-1H- benzimidazol-1-yl)propyl]piperidine-4-Carboxamide (D2AAK4), a Multi-Target Ligand of Aminergic GPCRs, as a Potential Antipsychotic

scientific article published on 24 February 2020

Non-peptide Opioid Receptor Ligands - Recent Advances. Part I - Agonists

Non-peptide opioid receptor ligands - recent advances. Part I - agonists

scientific article

Non-peptide opioid receptor ligands - recent advances. Part II - antagonists

scientific article

Novel Positive Allosteric Modulators of µ Opioid Receptor-Insight from In Silico and In Vivo Studies

scientific article published on 11 November 2020

Novel antibacterial compounds and their drug targets - successes and challenges.

scientific article published on 12 December 2016

Novel thiosemicarbazide derivatives with 4-nitrophenyl group as multi-target drugs: α-glucosidase inhibitors with antibacterial and antiproliferative activity

scientific article published on 21 July 2017

Oligomerization of G Protein-Coupled Receptors: Computational Methods ⬇️

scientific article published on January 1, 2011

Oligomerization of G protein-coupled receptors: biochemical and biophysical methods.

scientific article published on January 2011

Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs

scientific article published in January 2018

Optimization of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors.

scientific article published on 11 December 2014

Pharmacological and molecular studies on the interaction of varenicline with different nicotinic acetylcholine receptor subtypes. Potential mechanism underlying partial agonism at human α4β2 and α3β4 subtypes

scientific article

Positive allosteric modulators of α7 nicotinic acetylcholine receptors affect neither the function of other ligand- and voltage-gated ion channels and acetylcholinesterase, nor β-amyloid content.

scientific article published on 26 April 2016

Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists

scientific article published on 2 November 2015

Preferential Coupling of Dopamine D2S and D2L Receptor Isoforms with Gi1 and Gi2 Proteins-In Silico Study

scientific article published on 09 January 2020

Protein-Protein Docking in Drug Design and Discovery

scientific article published in January 2018

Rational design of the survivin/CDK4 complex by combining protein-protein docking and molecular dynamics simulations

scientific article published on 21 December 2012

Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors

scientific article published on 22 February 2017

Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors

scientific article published on 28 August 2015

Role of N-terminus in function and dynamics of sirtuin 7: an in silico study

scientific article published on 26 April 2019

Signaling within Allosteric Machines: Signal Transmission Pathways Inside G Protein-Coupled Receptors.

scientific article published on 15 July 2017

Simulating G protein-coupled receptors in native-like membranes: from monomers to oligomers

scientific article published in January 2013

Structural Changes of Carotenoid Astaxanthin in a Single Algal Cell Monitored in Situ by Raman Spectroscopy ⬇️

scientific article published on September 15, 2011

Structural Studies on N-(1-naphthyl)-3-amino-5-oxo-4-phenyl-1Hpyrazole- 1-carboxamide with Antibacterial Activity

Structural and Molecular Docking Studies of 4-Benzyl-3-[(1-methylpyrrol- 2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one with Anticancer Activity ⬇️

scientific article published on May 1, 2013

Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors

scientific article published on 12 December 2013

Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics

scientific article

Structure-based molecular modeling approaches to GPCR oligomerization

scientific article published in January 2013

Structure-based virtual screening for novel inhibitors of Japanese encephalitis virus NS3 helicase/nucleoside triphosphatase

scientific article published on 5 October 2009

Synthesis and Pharmacological Evaluation of Novel 1-(1,4-Alkylaryldisubstituted-4,5-dihydro-1H-imidazo)-3-substituted Urea Derivatives

scientific article published on 30 April 2016

Synthesis and antiviral activity of 1-(1,3-disubstitutedimidazolidyn-2-ylidene)-3-ethoxycarbonylmethylurea derivatives

scientific article

Synthesis and molecular docking of indole and carbazole derivatives with potential pharmacological activity

scholarly article by Agnieszka Kaczor et al published 1 January 2014 in Heterocyclic Communications

Synthesis and molecular docking of novel non-competitive antagonists of GluK2 receptor

scientific article published on 24 July 2014

Synthesis, Experimental and Computational Spectroscopic Studies, and Formation Thermodynamics of Diethyl [[2-(1-Aryl-4,5-dihydro-1H-imidazol- 2-yl)hydrazinyl]methylene]propanedioates

Synthesis, Structural Studies and Molecular Modelling of a Novel Imidazoline Derivative with Antifungal Activity.

scientific article published on 13 August 2015

Synthesis, Structural and Thermal Studies of 3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-ethoxy-1-indole (D2AAK1_3) as Dopamine D₂ Receptor Ligand

scientific article published on 04 September 2018

Synthesis, antiviral activity and structure-activity relationship of 1-(1-aryl-4,5-dihydro-1H-imidazoline)-3-chlorosulfonylureas and products of their cyclization.

scientific article published on 27 July 2015

Synthesis, central nervous system activity and structure-activity relationship of N-substituted derivatives of 1-arylimidazolidyn-2-ylideneurea and products of their cyclization

scientific article published on 11 February 2015

Synthesis, central nervous system activity and structure-activity relationships of novel 1-(1-Alkyl-4-aryl-4,5-dihydro-1H-imidazo)-3-substituted urea derivatives.

scientific article published on 26 February 2015

Synthesis, central nervous system activity, and structure-activity relationship of 1-aryl-6-benzyl-7-hydroxy-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-ones

scientific article published on 27 March 2014

Synthesis, docking studies, and pharmacological evaluation of 5HT2C ligands containing the N'-cyanoisonicotinamidine or N'-cyanopicolinamidine nucleus

scientific article published on 26 April 2019

Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of α3β4 nicotinic acetylcholine receptor

scientific article

Synthesis, pharmacological activity and molecular modeling of 1-aryl-7- hydroxy-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-ones and their 6-substituted derivatives.

scientific article published in January 2014

Synthesis, pharmacological and structural studies of 5-substituted-3-(1-arylmethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as multi-target ligands of aminergic GPCRs

scientific article published on 20 July 2019

The Antipsychotic D2AAK1 as a Memory Enhancer for Treatment of Mental and Neurodegenerative Diseases

scientific article published on 23 November 2020

The Universal 3D QSAR Model for Dopamine D2 Receptor Antagonists

scientific article published on 14 September 2019

The dopamine D2 receptor dimer and its interaction with homobivalent antagonists: homology modeling, docking and molecular dynamics

scientific article published on 4 August 2016

The pseudo-Michael reaction of 1-aryl-4,5-dihydro-1H-imidazol-2-amines with ethyl ethoxymethylenecyanoacetate

scientific article published on 14 May 2013

Theoretical studies on the structure and symmetry of the transmembrane region of glutamatergic GluR5 receptor

scientific article

Thyroid Peroxidase Activity is Inhibited by Phenolic Compounds-Impact of Interaction

scientific article published on 30 July 2019

Tuning Down the Pain - an Overview of Allosteric Modulation of Opioid Receptors: Mechanisms of Modulation, Allosteric Sites, Modulator Syntheses.

scientific article published on 01 June 2020

WaterMap‐Guided Structure‐Based Virtual Screening for Acetylcholinesterase Inhibitors

scientific article published in 2022

List of works by Agnieszka Kaczor

1,2,4-Triazolin-5-thione derivatives with anticancer activity as CK1γ kinase inhibitors

2,4-Dichlorophenoxyacetic Thiosemicarbazides as a New Class of Compounds Against Stomach Cancer Potentially Intercalating with DNA

3D confocal Raman imaging of endothelial cells and vascular wall: perspectives in analytical spectroscopy of biomedical research ⬇️

Activation and Allosteric Modulation of Human μ Opioid Receptor in Molecular Dynamics

Allosteric modulation of dopamine D<sub>2L</sub> receptor in complex with G<sub>i1</sub> and G<sub>i2</sub> proteins: the effect of subtle structural and stereochemical ligand modifications

Application of BRET for studying G protein-coupled receptors.

Challenges and Opportunities in Drug Discovery of Biased Ligands

Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors

Comparative molecular field analysis and molecular dynamics studies of the dopamine D2 receptor antagonists without a protonatable nitrogen atom.

Comparative molecular field analysis and molecular dynamics studies of α/β hydrolase domain containing 6 (ABHD6) inhibitors

Computational methods for studying G protein-coupled receptors (GPCRs).

Corrigendum to "In vitro, molecular modeling and behavioral studies of '3-{[4-(5-methoxy-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]methyl}-1,2-dihydroquinolin-2-one (D2AAK1) as a potential antipsychotic" [Neurochem. Int. 96 (2016) 84-99]

Crystal Structure of 1-(4-Chlorophenyl)-5(1H)-oxo-2,3-dihydroimidazo[1,2-a]-pyrimidine-6-carbonitrile

Current Concepts and Treatments of Schizophrenia

Development and Characterization of Novel Selective, Non-Basic Dopamine D2 Receptor Antagonists for the Treatment of Schizophrenia

Discovery of nitroaryl urea derivatives with antiproliferative properties

Do new N-substituted 3-amino-4-phenyl-5-oxo-pyrazolinecarboxamide derivatives exhibit antitubercular potential?

Experimental and computational studies on the tautomerism of N-substituted 3-amino-5-oxo-4-phenyl-1H-pyrazolo-1-carboxamides with antibacterial activity

Experimental and theoretical investigations on the keto–enol tautomerism of 4-substituted 3-[1-methylpyrrol-2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives

Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function

In Vitro Screening of Some Heterocyclic Compounds Against Human ABHD6 and ABHD12 Hydrolases

In Vitro and In Vivo Models for the Investigation of Potential Drugs Against Schizophrenia

In silico Exploration of the Conformational Universe of GPCRs.

Interplay between Two Allosteric Sites and Their Influence on Agonist Binding in Human μ Opioid Receptor

Investigation of novel ropinirole analogues: synthesis, pharmacological evaluation and computational analysis of dopamine D2 receptor functionalized congeners and homobivalent ligands

In vitro, molecular modeling and behavioral studies of 3-{[4-(5-methoxy-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]methyl}-1,2-dihydroquinolin-2-one (D2AAK1) as a potential antipsychotic.

Modeling Complexes of Transmembrane Proteins: Systematic Analysis of ProteinProtein Docking Tools

Modeling of glutamate GluR6 receptor and its interactions with novel noncompetitive antagonists

Modeling the Active Conformation of Human µ Opioid Receptor

Molecular interactions of type I and type II positive allosteric modulators with the human α7 nicotinic acetylcholine receptor: An in silico study.

Molecular mechanisms of allosteric probe dependence in μ opioid receptor

Molecular structure of ionotropic glutamate receptors.

Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors

Multi-Target Approach for Drug Discovery against Schizophrenia

Multi-targeted drug design strategies for the treatment of schizophrenia

N-(2-Hydroxyphenyl)-1-[3-(2-oxo-2,3-dihydro-1H- benzimidazol-1-yl)propyl]piperidine-4-Carboxamide (D2AAK4), a Multi-Target Ligand of Aminergic GPCRs, as a Potential Antipsychotic

Non-peptide Opioid Receptor Ligands - Recent Advances. Part I - Agonists

Non-peptide opioid receptor ligands - recent advances. Part I - agonists

Non-peptide opioid receptor ligands - recent advances. Part II - antagonists

Novel Positive Allosteric Modulators of µ Opioid Receptor-Insight from In Silico and In Vivo Studies

Novel antibacterial compounds and their drug targets - successes and challenges.

Novel thiosemicarbazide derivatives with 4-nitrophenyl group as multi-target drugs: α-glucosidase inhibitors with antibacterial and antiproliferative activity

Oligomerization of G Protein-Coupled Receptors: Computational Methods ⬇️

Oligomerization of G protein-coupled receptors: biochemical and biophysical methods.

Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs

Optimization of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors.

Pharmacological and molecular studies on the interaction of varenicline with different nicotinic acetylcholine receptor subtypes. Potential mechanism underlying partial agonism at human α4β2 and α3β4 subtypes

Positive allosteric modulators of α7 nicotinic acetylcholine receptors affect neither the function of other ligand- and voltage-gated ion channels and acetylcholinesterase, nor β-amyloid content.

Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists

Preferential Coupling of Dopamine D2S and D2L Receptor Isoforms with Gi1 and Gi2 Proteins-In Silico Study

Protein-Protein Docking in Drug Design and Discovery

Rational design of the survivin/CDK4 complex by combining protein-protein docking and molecular dynamics simulations

Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors

Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors

Role of N-terminus in function and dynamics of sirtuin 7: an in silico study

Signaling within Allosteric Machines: Signal Transmission Pathways Inside G Protein-Coupled Receptors.

Simulating G protein-coupled receptors in native-like membranes: from monomers to oligomers

Structural Changes of Carotenoid Astaxanthin in a Single Algal Cell Monitored in Situ by Raman Spectroscopy ⬇️

Structural Studies on N-(1-naphthyl)-3-amino-5-oxo-4-phenyl-1Hpyrazole- 1-carboxamide with Antibacterial Activity

Structural and Molecular Docking Studies of 4-Benzyl-3-[(1-methylpyrrol- 2-yl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one with Anticancer Activity ⬇️

Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors

Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics

Structure-based molecular modeling approaches to GPCR oligomerization

Structure-based virtual screening for novel inhibitors of Japanese encephalitis virus NS3 helicase/nucleoside triphosphatase

Synthesis and Pharmacological Evaluation of Novel 1-(1,4-Alkylaryldisubstituted-4,5-dihydro-1H-imidazo)-3-substituted Urea Derivatives

Synthesis and antiviral activity of 1-(1,3-disubstitutedimidazolidyn-2-ylidene)-3-ethoxycarbonylmethylurea derivatives

Synthesis and molecular docking of indole and carbazole derivatives with potential pharmacological activity

Synthesis and molecular docking of novel non-competitive antagonists of GluK2 receptor

Synthesis, Experimental and Computational Spectroscopic Studies, and Formation Thermodynamics of Diethyl [[2-(1-Aryl-4,5-dihydro-1H-imidazol- 2-yl)hydrazinyl]methylene]propanedioates

Synthesis, Structural Studies and Molecular Modelling of a Novel Imidazoline Derivative with Antifungal Activity.

Synthesis, Structural and Thermal Studies of 3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-ethoxy-1-indole (D2AAK1_3) as Dopamine D₂ Receptor Ligand

Synthesis, antiviral activity and structure-activity relationship of 1-(1-aryl-4,5-dihydro-1H-imidazoline)-3-chlorosulfonylureas and products of their cyclization.

Synthesis, central nervous system activity and structure-activity relationship of N-substituted derivatives of 1-arylimidazolidyn-2-ylideneurea and products of their cyclization

Synthesis, central nervous system activity and structure-activity relationships of novel 1-(1-Alkyl-4-aryl-4,5-dihydro-1H-imidazo)-3-substituted urea derivatives.

Synthesis, central nervous system activity, and structure-activity relationship of 1-aryl-6-benzyl-7-hydroxy-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-ones

Synthesis, docking studies, and pharmacological evaluation of 5HT2C ligands containing the N'-cyanoisonicotinamidine or N'-cyanopicolinamidine nucleus

Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of α3β4 nicotinic acetylcholine receptor

Synthesis, pharmacological activity and molecular modeling of 1-aryl-7- hydroxy-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-ones and their 6-substituted derivatives.

Synthesis, pharmacological and structural studies of 5-substituted-3-(1-arylmethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as multi-target ligands of aminergic GPCRs