List of works - Athanasios Papakyriakou

3,4-diaminobenzoic acid derivatives as inhibitors of the oxytocinase subfamily of M1 aminopeptidases with immune-regulating properties

scientific article

A computational approach to the study of the binding mode of dual ACE/NEP inhibitors

scientific article published on 01 March 2010

A computational investigation on the role of glycosylation in the binding of alpha1 nicotinic acetylcholine receptor with two alpha-neurotoxins

scientific article published on 01 January 2011

A new role for Zn(II) aminopeptidases: antigenic peptide generation and destruction.

scientific article published on January 2009

A zebrafish in vivo phenotypic assay to identify 3-aminothiophene-2-carboxylic acid-based angiogenesis inhibitors

scientific article

Anticancer effects of the metabolic products of the resveratrol analogue, DMU-212: structural requirements for potency.

scientific article published on 30 March 2011

Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study

scientific article published on 06 June 2017

Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids.

scientific article published on 24 March 2011

Comparative Experimental and Computational Study of Monoalkyl Chain Phosphatidylcholine-Containing Thermoresponsive Liposomes

scientific article published on 09 June 2016

Conformational dynamics of the EGFR kinase domain reveals structural features involved in activation.

scientific article

Critical Role of Interdomain Interactions in the Conformational Change and Catalytic Mechanism of Endoplasmic Reticulum Aminopeptidase 1.

scientific article published on 20 February 2017

Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing

scientific article

Crystal Structure of the Monomeric Extracellular Domain of α9 Nicotinic Receptor Subunit in Complex With α-Conotoxin RgIA: Molecular Dynamics Insights Into RgIA Binding to α9α10 Nicotinic Receptors

scientific article published on 01 May 2019

Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.

scientific article published on 21 February 2017

Designed spiro-bicyclic analogues targeting the ribosomal decoding center

scientific article published on 01 January 2011

Dietary flavonoids in cancer therapy and prevention: substrates and inhibitors of cytochrome P450 CYP1 enzymes.

scientific article published on 11 February 2010

Direct modulation of T-box riboswitch-controlled transcription by protein synthesis inhibitors

scientific article published on September 2017

Editing the immunopeptidome of melanoma cells using a potent inhibitor of endoplasmic reticulum aminopeptidase 1 (ERAP1)

scientific article published on 20 June 2019

Effects of polymorphic variation on the mechanism of Endoplasmic Reticulum Aminopeptidase 1.

scientific article published on 26 July 2015

Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases

scientific article published on 01 November 2019

Expression of the C-terminal domain of novel human SR-A1 protein: Interaction with the CTD domain of RNA polymerase II

scientific article published on 01 August 2005

High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K

scientific article published on 08 April 2020

Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope

scientific article published on 16 October 2019

Identification of Novel Melanin Synthesis Inhibitors From Crataegus pycnoloba Using an in Vivo Zebrafish Phenotypic Assay

scientific article published on 26 March 2018

Interaction of Lambda- and Delta-[Ru(bpy)2(pbmz)](PF6)2 with the oligonucleotide duplex d(CGCGAATTCGCG)2.

scientific article published on 03 August 2006

Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.

scientific article published on 22 March 2017

Low molecular weight inhibitors of the protease anthrax lethal factor

scientific article published on March 2008

Mammalian PNLDC1 is a novel poly(A) specific exonuclease with discrete expression during early development

scientific journal article

Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1

scientific article published on 16 December 2019

Molecular interaction of α-conotoxin RgIA with the rat α9α10 nicotinic acetylcholine receptor

scientific article published on 4 March 2015

Molecular recognition of N-acetyltryptophan enantiomers by β-cyclodextrin.

scientific article published on 9 August 2017

Mononuclear metal complexes with piroxicam: synthesis, structure and biological activity.

scientific article published on 19 September 2005

Novel selective inhibitors of aminopeptidases that generate antigenic peptides.

scientific article published on 23 July 2013

Optimization and Structure-Activity Relationships of Phosphinic Pseudotripeptide Inhibitors of Aminopeptidases That Generate Antigenic Peptides.

scientific article published on 8 September 2016

Peptide-Drug Conjugate GnRH-Sunitinib Targets Angiogenesis Selectively at the Site of Action to Inhibit Tumor Growth

scientific article published on 8 December 2015

Preparation, Structure Determination and Cytotoxicity of the PdII·Bleomycin A2 Complex

Probing the S1 specificity pocket of the aminopeptidases that generate antigenic peptides.

scientific article published on April 2011

Probing the mechanism of allylic substitution of Morita-Baylis-Hillman acetates (MBHAs) by using the silyl phosphonite paradigm: scope and applications of a versatile transformation

scientific article published on 09 January 2015

Pyrrolo[2,3-a]carbazoles as potential cyclin dependent kinase 1 (CDK1) Inhibitors. Synthesis, biological evaluation, and binding mode through docking simulations

scientific article published on 31 January 2008

Rationally designed less toxic SPD-304 analogs and preliminary evaluation of their TNF inhibitory effects

scientific article published on 27 August 2014

Screening Identifies Thimerosal as a Selective Inhibitor of Endoplasmic Reticulum Aminopeptidase 1.

scientific article published on 31 May 2016

Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome

scientific article published on 08 October 2010

Simulated interactions between angiotensin-converting enzyme and substrate gonadotropin-releasing hormone: novel insights into domain selectivity

scientific article published on 03 July 2007

Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.

scientific article published on 19 December 2017

Study of the inclusion of the (R)- and (S)-camphor enantiomers in alpha-cyclodextrin by X-ray crystallography and molecular dynamics.

scientific article published on 20 March 2010

Synthesis and Biopharmaceutical Evaluation of Imatinib Analogues Featuring Unusual Structural Motifs.

scientific article published on 20 November 2015

Synthesis and characterization of ruthenium(II)-oligopyridine-peptide conjugates. Interactions of the diasteromeres Δ- and Λ-[Ru(bpy)2(4-COY-4'-Mebpy)]Cl2 (Y=Gly-Lys(1)-Lys(2)CONH2, Lys(1)-Gly-Lys(2)CONH2, Lys(1)-Lys(2)-GlyCONH2) with the oligonucle

scientific article published on 24 June 2013

Synthesis and structures of Se analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives: formation of dimeric Se-Se compounds and deselenation reactions of charge-transfer adducts of diiodine

scientific article published on 01 September 2006

Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site.

scientific article published on 6 May 2011

Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.

scientific article

Synthesis, biochemical evaluation and molecular modeling studies of novel rhodium complexes with nanomolar activity against Platelet Activating Factor

scientific article published on 19 December 2012

Targeting of the breast cancer microenvironment with a potent and linkable oxindole based antiangiogenic small molecule

scientific article

The Pivotal Role of Protein Phosphorylation in the Control of Yeast Central Metabolism

scientific article

The Role of Conformational Dynamics in Antigen Trimming by Intracellular Aminopeptidases

scientific article published on 7 August 2017

The fibrate gemfibrozil is a NO- and haem-independent activator of soluble guanylyl cyclase: in vitro studies

scientific article

The interaction of the chemotherapeutic drug chlorambucil with human glutathione transferase A1-1: kinetic and structural analysis

scientific article

The internal sequence of the peptide-substrate determines its N-terminus trimming by ERAP1.

scientific article

The partial dissociation of MHC class I bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1.

scientific article published on 29 March 2018

The structure-function relationship of oncogenic LMTK3

scientific article published on 13 November 2020

Unnatural rigid scaffolds targeting the bacterial ribosome

scientific article published on 01 August 2009

List of works by Athanasios Papakyriakou

3,4-diaminobenzoic acid derivatives as inhibitors of the oxytocinase subfamily of M1 aminopeptidases with immune-regulating properties

A computational approach to the study of the binding mode of dual ACE/NEP inhibitors

A computational investigation on the role of glycosylation in the binding of alpha1 nicotinic acetylcholine receptor with two alpha-neurotoxins

A new role for Zn(II) aminopeptidases: antigenic peptide generation and destruction.

A zebrafish in vivo phenotypic assay to identify 3-aminothiophene-2-carboxylic acid-based angiogenesis inhibitors

Anticancer effects of the metabolic products of the resveratrol analogue, DMU-212: structural requirements for potency.

Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study

Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids.

Comparative Experimental and Computational Study of Monoalkyl Chain Phosphatidylcholine-Containing Thermoresponsive Liposomes

Conformational dynamics of the EGFR kinase domain reveals structural features involved in activation.

Critical Role of Interdomain Interactions in the Conformational Change and Catalytic Mechanism of Endoplasmic Reticulum Aminopeptidase 1.

Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing

Crystal Structure of the Monomeric Extracellular Domain of α9 Nicotinic Receptor Subunit in Complex With α-Conotoxin RgIA: Molecular Dynamics Insights Into RgIA Binding to α9α10 Nicotinic Receptors

Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.

Designed spiro-bicyclic analogues targeting the ribosomal decoding center

Dietary flavonoids in cancer therapy and prevention: substrates and inhibitors of cytochrome P450 CYP1 enzymes.

Direct modulation of T-box riboswitch-controlled transcription by protein synthesis inhibitors

Editing the immunopeptidome of melanoma cells using a potent inhibitor of endoplasmic reticulum aminopeptidase 1 (ERAP1)

Effects of polymorphic variation on the mechanism of Endoplasmic Reticulum Aminopeptidase 1.

Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases

Expression of the C-terminal domain of novel human SR-A1 protein: Interaction with the CTD domain of RNA polymerase II

High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K

Human leukocyte antigen (HLA) class II peptide flanking residues tune the immunogenicity of a human tumor-derived epitope

Identification of Novel Melanin Synthesis Inhibitors From Crataegus pycnoloba Using an in Vivo Zebrafish Phenotypic Assay

Interaction of Lambda- and Delta-[Ru(bpy)2(pbmz)](PF6)2 with the oligonucleotide duplex d(CGCGAATTCGCG)2.

Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.

Low molecular weight inhibitors of the protease anthrax lethal factor

Mammalian PNLDC1 is a novel poly(A) specific exonuclease with discrete expression during early development

Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1

Molecular interaction of α-conotoxin RgIA with the rat α9α10 nicotinic acetylcholine receptor

Molecular recognition of N-acetyltryptophan enantiomers by β-cyclodextrin.

Mononuclear metal complexes with piroxicam: synthesis, structure and biological activity.

Novel selective inhibitors of aminopeptidases that generate antigenic peptides.

Optimization and Structure-Activity Relationships of Phosphinic Pseudotripeptide Inhibitors of Aminopeptidases That Generate Antigenic Peptides.

Peptide-Drug Conjugate GnRH-Sunitinib Targets Angiogenesis Selectively at the Site of Action to Inhibit Tumor Growth

Preparation, Structure Determination and Cytotoxicity of the PdII·Bleomycin A2 Complex

Probing the S1 specificity pocket of the aminopeptidases that generate antigenic peptides.

Probing the mechanism of allylic substitution of Morita-Baylis-Hillman acetates (MBHAs) by using the silyl phosphonite paradigm: scope and applications of a versatile transformation

Pyrrolo[2,3-a]carbazoles as potential cyclin dependent kinase 1 (CDK1) Inhibitors. Synthesis, biological evaluation, and binding mode through docking simulations

Rationally designed less toxic SPD-304 analogs and preliminary evaluation of their TNF inhibitory effects

Screening Identifies Thimerosal as a Selective Inhibitor of Endoplasmic Reticulum Aminopeptidase 1.

Second generation analogs of rigid 6,7-spiro scaffolds targeting the bacterial ribosome

Simulated interactions between angiotensin-converting enzyme and substrate gonadotropin-releasing hormone: novel insights into domain selectivity

Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.

Study of the inclusion of the (R)- and (S)-camphor enantiomers in alpha-cyclodextrin by X-ray crystallography and molecular dynamics.

Synthesis and Biopharmaceutical Evaluation of Imatinib Analogues Featuring Unusual Structural Motifs.

Synthesis and characterization of ruthenium(II)-oligopyridine-peptide conjugates. Interactions of the diasteromeres Δ- and Λ-[Ru(bpy)2(4-COY-4'-Mebpy)]Cl2 (Y=Gly-Lys(1)-Lys(2)CONH2, Lys(1)-Gly-Lys(2)CONH2, Lys(1)-Lys(2)-GlyCONH2) with the oligonucle

Synthesis and structures of Se analogues of the antithyroid drug 6-n-propyl-2-thiouracil and its alkyl derivatives: formation of dimeric Se-Se compounds and deselenation reactions of charge-transfer adducts of diiodine

Synthesis of 5,6-spiroethers and evaluation of their affinities for the bacterial A site.

Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.

Synthesis, biochemical evaluation and molecular modeling studies of novel rhodium complexes with nanomolar activity against Platelet Activating Factor

Targeting of the breast cancer microenvironment with a potent and linkable oxindole based antiangiogenic small molecule

The Pivotal Role of Protein Phosphorylation in the Control of Yeast Central Metabolism

The Role of Conformational Dynamics in Antigen Trimming by Intracellular Aminopeptidases

The fibrate gemfibrozil is a NO- and haem-independent activator of soluble guanylyl cyclase: in vitro studies

The interaction of the chemotherapeutic drug chlorambucil with human glutathione transferase A1-1: kinetic and structural analysis

The internal sequence of the peptide-substrate determines its N-terminus trimming by ERAP1.

The partial dissociation of MHC class I bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1.

The structure-function relationship of oncogenic LMTK3

Unnatural rigid scaffolds targeting the bacterial ribosome