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Employment (5)

Slovak Academy of Sciences: Bratislava, SK

2006-03-01 to present | researcher/Dr. (Institute of Chemistry, Center for Glycomics, Department of Structure and Function of Saccharides)
Employment
Source: Self-asserted source
Juraj Kóňa

International School for Advanced Studies: Trieste, Friuli-Venezia Giulia, IT

2004-02 to 2006-02 | Researcher (Sector of Statistical and Biological Physics)
Employment
Source: Self-asserted source
Juraj Kóňa

Comenius University: Bratislava, SK

2003-11 to 2004-01 | Researcher (Organic Chemistry)
Employment
Source: Self-asserted source
Juraj Kóňa

Royal Institute of Technology: Stockholm, SE

2002-06 to 2003-05 | Researcher (Physical Chemistry)
Employment
Source: Self-asserted source
Juraj Kóňa

Karl-Franzens-Universität Graz: Graz, AT

2000-01 to 2000-12 | Researcher (Organic Chemistry)
Employment
Source: Self-asserted source
Juraj Kóňa

Education and qualifications (1)

Comenius University: Bratislava, SK

1996-09-01 to 2001-09-11 | PhD. (Organic Chemistry)
Education
Source: Self-asserted source
Juraj Kóňa

Works (35)

(5S)-5-Benzylswainsonines as potent and selective inhibitors of Golgi α-mannosidase II: synthesis, enzyme evaluation and molecular modelling

Bioorganic Chemistry
2024-09 | Journal article
DOI: 10.1016/j.bioorg.2024.107578
Part of ISSN: 0045-2068
Contributors: Martin Kalník; Peter Gabko; Juraj Kóňa; Sergej Šesták; Jan Moncol; Maroš Bella
Source: Self-asserted source
Juraj Kóňa

Comparative study of interaction energies between αIIbβ3 integrin and the peptidic, peptidomimetic and non-peptidic ligands by quantum mechanics FMO-PIEDA calculations

Chemical Papers
2023-10 | Journal article | Author
DOI: 10.1007/s11696-023-02910-4
Part of ISSN: 0366-6352
Part of ISSN: 2585-7290
Contributors: Juraj Kóňa
Source: Self-asserted source
Juraj Kóňa

Specific magnetic particle-based TMB immunoassay and SPR binding kinetics of novel viral glycoprotein HCMV UL141 antagonists to block TRAIL-R2 death receptor binding

Acta Crystallographica Section A Foundations and Advances
2023-08-22 | Conference poster
DOI: 10.1107/s2053273323085662
Part of ISSN: 2053-2733
Contributors: I. Nemčovičová; J. Kóňa; M. Poláková; T. Klunda; A. Bitala; M. Benko; M. Nemčovič
Source: Self-asserted source
Juraj Kóňa

A Comparison of the Antibacterial Efficacy of Carbohydrate Lipid-like (Thio)Ether, Sulfone, and Ester Derivatives against <i>Paenibacillus larvae</i>

Molecules
2023-03 | Journal article | Author
DOI: 10.3390/molecules28062516
Contributors: Veronika Šamšulová; Mária Šedivá; Juraj Kóňa; Jaroslav Klaudiny; Monika Polakova
Source: check_circle
Multidisciplinary Digital Publishing Institute

Synthesis, α-mannosidase inhibition studies and molecular modeling of 1,4-imino-ᴅ-lyxitols and their C-5-altered N-arylalkyl derivatives

Beilstein Journal of Organic Chemistry
2023-03-06 | Journal article | Author
DOI: 10.3762/bjoc.19.24
Part of ISSN: 1860-5397
Contributors: Martin Kalník; Sergej Šesták; Juraj Kóňa; Maroš Bella; Monika Polakova
Source: Self-asserted source
Juraj Kóňa

Molecular Modeling Insights into the Structure and Behavior of Integrins: A review

Cells
2023-01 | Journal article | Author
DOI: 10.3390/cells12020324
Contributors: Igor Tvaroska; Stanislav Kozmon; Juraj Kóňa
Source: check_circle
Multidisciplinary Digital Publishing Institute

1,4-Dideoxy-1,4-imino-D- and L-lyxitol-based inhibitors bind to Golgi α-mannosidase II in different protonation forms

Organic &amp; Biomolecular Chemistry
2022 | Journal article | Author
DOI: 10.1039/d2ob01545e
Part of ISSN: 1477-0520
Part of ISSN: 1477-0539
Contributors: Juraj Kóňa; Sergej Šesták; Iain B. H. Wilson; Monika Polakova
Source: Self-asserted source
Juraj Kóňa

Selective Golgi α-mannosidase II inhibitors: N-alkyl substituted pyrrolidines with a basic functional group

New Journal of Chemistry
2021 | Journal article
DOI: 10.1039/d1nj01176f
Part of ISSN: 1144-0546
Part of ISSN: 1369-9261
Source: Self-asserted source
Juraj Kóňa

Synthesis of hydroxymethyl analogues of mannostatin A and their evaluation as inhibitors of GH38 α-mannosidases

New Journal of Chemistry
2021 | Journal article
DOI: 10.1039/d1nj02351a
Part of ISSN: 1144-0546
Part of ISSN: 1369-9261
Source: Self-asserted source
Juraj Kóňa

How inverting β-1,4-galactosyltransferase-1 can quench a high charge of the by-product UDP3−in catalysis: a QM/MM study of enzymatic reaction with native and UDP-5′ thio galactose substrates

Organic & Biomolecular Chemistry
2020 | Journal article
DOI: 10.1039/d0ob01490g
Part of ISSN: 1477-0520
Part of ISSN: 1477-0539
Source: Self-asserted source
Juraj Kóňa
grade
Preferred source (of 2)‎

Medicinal chemistry: an effect of a desolvation penalty of an amide group in the development of kinase inhibitors

Chemical Papers
2019 | Journal article
DOI: 10.1007/s11696-018-0576-6
EID:

2-s2.0-85061201072

Part of ISSN: 13369075 03666352
Contributors: Dobiaš, J.; Ondruš, M.; Hlaváč, M.; Murár, M.; Kóňa, J.; Addová, G.; Boháč, A.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Synthesis of 4a-Carba-d-lyxofuranose Derivatives and Their Evaluation as Inhibitors of GH38 α-Mannosidases

European Journal of Organic Chemistry
2019 | Journal article
DOI: 10.1002/ejoc.201801586
EID:

2-s2.0-85060134166

Part of ISSN: 10990690 1434193X
Contributors: Zajičková, M.; Moncoľ, J.; Šesták, S.; Kóňa, J.; Koóš, M.; Bella, M.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Synthesis of N-benzyl substituted 1,4-imino-L-lyxitols with a basic functional group as selective inhibitors of Golgi α-mannosidase IIb

Bioorganic Chemistry
2019 | Journal article
DOI: 10.1016/j.bioorg.2018.10.066
EID:

2-s2.0-85056286086

Part of ISSN: 10902120 00452068
Contributors: Klunda, T.; Šesták, S.; Kóňa, J.; Poláková, M.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

N-Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi alpha-MannosidaseII

Chemmedchem
2018 | Journal article
DOI: 10.1002/cmdc.201700607
WOSUID:

WOS:000425510600008
Contributors: Sestak, Sergej; Bella, Maros; Klunda, Tomas; Gurska, Sona; Dzubak, Petr; Woels, Florian; Wilson, Iain B. H.; Sladek, Vladimir; Hajduch, Marian; Polakova, Monika et al.
Source: Self-asserted source
Juraj Kóňa via ResearcherID
grade
Preferred source (of 2)‎

In silico analysis of interaction pattern switching in ligand⋯receptor binding in Golgi α-mannosidase II induced by the protonated states of inhibitors

Physical Chemistry Chemical Physics
2017 | Journal article
DOI: 10.1039/c7cp01200d
EID:

2-s2.0-85024486590
Contributors: Sladek, V.; Kóňa, J.; Tokiwa, H.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II

Journal of Molecular Graphics and Modelling
2016 | Journal article
DOI: 10.1016/j.jmgm.2016.03.004
EID:

2-s2.0-84962028805
Contributors: Bobovská, A.; Tvaroška, I.; Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

'Click chemistry' synthesis of 1-(α-d-mannopyranosyl)-1,2,3-triazoles for inhibition of α-mannosidases

Carbohydrate Research
2015 | Journal article
DOI: 10.1016/j.carres.2015.01.004
EID:

2-s2.0-84961288825
Contributors: Poláková, M.; Stanton, R.; Wilson, I.B.H.; Holková, I.; Šesták, S.; Machová, E.; Jandová, Z.; Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Theoretical study of enzymatic catalysis explains why the trapped covalent intermediate in the E303C mutant of glycosyltransferase GTB was not detected in the wild-type enzyme

Glycobiology
2015 | Journal article
DOI: 10.1093/glycob/cwu085
EID:

2-s2.0-84924942777
Contributors: Bobovská, A.; Tvaroška, I.; Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

A theoretical study on the catalytic mechanism of the retaining α-1,2-mannosyltransferase Kre2p/Mnt1p: The impact of different metal ions on catalysis

Organic and Biomolecular Chemistry
2014 | Journal article
DOI: 10.1039/c4ob00286e
EID:

2-s2.0-84901675902
Contributors: Bobovská, A.; Tvaroška, I.; Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Structure-activity relationships of glycogen phosphorylase inhibitor FR258900 and its analogues: A combined synthetic, enzyme kinetics, and computational study

ChemPlusChem
2014 | Journal article
DOI: 10.1002/cplu.201402181
EID:

2-s2.0-84918782607
Contributors: Juhász, L.; Varga, G.; Sztankovics, A.; Béke, F.; Docsa, T.; Kiss-Szikszai, A.; Gergely, P.; Kóňa, J.; Tvaroška, I.; Somsák, L.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

PEGylated nanoparticles bind to and alter amyloid-beta peptide conformation: Toward engineering of functional nanomedicines for alzheimer's disease

ACS Nano
2012 | Journal article
DOI: 10.1021/nn300489k
EID:

2-s2.0-84864273268
Contributors: Brambilla, D.; Verpillot, R.; Le Droumaguet, B.; Nicolas, J.; Taverna, M.; Kóňa, J.; Lettiero, B.; Hashemi, S.H.; De Kimpe, L.; Canovi, M. et al.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Hybrid QM/MM calculations on the first redox step of the catalytic cycle of bovine glutathione peroxidase GPX1

Journal of Chemical Theory and Computation
2011 | Journal article
DOI: 10.1021/ct200129q
EID:

2-s2.0-80051655518
Contributors: Kóňa, J.; Fabian, W.M.F.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

α-d-Mannose derivatives as models designed for selective inhibition of Golgi α-mannosidase II

European Journal of Medicinal Chemistry
2011 | Journal article
DOI: 10.1016/j.ejmech.2011.01.012
EID:

2-s2.0-79951674558
Contributors: Poláková, M.; Šesták, S.; Lattová, E.; Petruš, L.; Mucha, J.; Tvaroška, I.; Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Theoretical prediction of p K <inf>a</inf> values of seleninic, selenenic, sulfinic, and carboxylic acids by quantum-chemical methods

Journal of Physical Chemistry A
2010 | Journal article
DOI: 10.1021/jp102266v
EID:

2-s2.0-78649538398
Contributors: Ali, S.T.; Karamat, S.; Kóňa, J.; Fabian, W.M.F.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Theoretical study on the redox cycle of bovine glutathione peroxidase GPx1: PK<inf>a</inf> calculations, docking, and molecular dynamics simulations

Journal of Chemical Theory and Computation
2010 | Journal article
DOI: 10.1021/ct9003355
EID:

2-s2.0-77952348410
Contributors: Ali, S.T.; Jahangir, S.; Karamat, S.; Fabian, W.M.F.; Nawara, K.; Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Comparative DFT study on the α-glycosidic bond in reactive species of galactosyl diphosphates

Chemical Papers
2009 | Journal article
DOI: 10.2478/s11696-009-0060-4
EID:

2-s2.0-70350616050
Contributors: Kóňa, J.; Tvaroška, I.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Theoretical study on the mechanism of a ring-opening reaction of oxirane by the active-site aspartic dyad of HIV-1 protease

Organic and Biomolecular Chemistry
2008 | Journal article
DOI: 10.1039/b715828a
EID:

2-s2.0-37849007986
Contributors: Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

A gate mechanism indicated in the selectivity filter of the potassium channel KscA

Theoretical Chemistry Accounts
2007 | Journal article
DOI: 10.1007/s00214-006-0226-x
WOSUID:

WOS:000246176100039
Contributors: Kona, J.; Minozzi, M.; Torre, V.; Carloni, P.
Source: Self-asserted source
Juraj Kóňa via ResearcherID
grade
Preferred source (of 2)‎

A combined molecular dynamics simulation and quantum chemical study on the mechanism for activation of the OxyR transcription factor by hydrogen peroxide

Organic and Biomolecular Chemistry
2006 | Journal article
DOI: 10.1039/b604602a
EID:

2-s2.0-84961985014
Contributors: Kóňa, J.; Brinck, T.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Role of solvent effects on nucleophilic substitution of 4H-pyran-4-one and its 2,6-dimethyl derivative with hydroxide ion in aqueous solution: Ab initio and density functional theory studies on a supermolecular reaction model

Journal of Molecular Structure: THEOCHEM
2005 | Journal article
DOI: 10.1016/j.theochem.2005.02.026
EID:

2-s2.0-23944433608
Contributors: Kóňa, J.; Zahradník, P.; Kozmon, S.; Fabian, W.M.F.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Ab initio and density functional theory studies on the mechanism of nucleophilic vinylic substitution of 4H-pyran-4-one and 2-methyl-4H-pyran-4-one with ammonia

Theoretical Chemistry Accounts
2003 | Journal article
DOI: 10.1007/s00214-002-0406-2
EID:

2-s2.0-84962467550
Contributors: Kóňa, J.; Zahradník, P.; Fabian, W.M.F.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Redox chemistry of organoselenium compounds: Ab initio and density functional theory calculations on model systems for transition states and intermediates of the redox cycle of selenoenzymes

International Journal of Quantum Chemistry
2002 | Journal article
DOI: 10.1002/qua.971
EID:

2-s2.0-0037108156
Contributors: Benkova, Z.; Kóňa, J.; Gann, G.; Fabian, W.M.F.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Ab initio and DFT studies on the mechanism of ring-opening reactions of 4h-1-benzopyran-4-one with hydroxide ion

Journal of the Chemical Society, Perkin Transactions 2
2001 | Journal article
DOI: 10.1039/b005731m
EID:

2-s2.0-0035768248
Contributors: Kóňa, J.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Nucleophilic substitution by a hydroxide ion at a vinylic carbon: Ab initio and density functional theory studies on methoxyethene, 3-methoxypropenal, 2,3-dihydro-4H-pyran-4-one, and 4H-pyran-4-one

Journal of Organic Chemistry
2001 | Journal article
DOI: 10.1021/jo001222i
EID:

2-s2.0-84961978616
Contributors: Kóňa, J.; Zahradník, P.; Fabian, W.M.F.
Source: Self-asserted source
Juraj Kóňa via Scopus - Elsevier

Modelling of molecular interactions and inclusion phenomena in substituted beta-cyclodextrin: From simple probes to proteins

Macromolecular Symposia
1999 | Journal article
DOI: 10.1002/masy.19991380106
WOSUID:

WOS:000081384300005
Contributors: Miertus, S; Chiellini, E; Chiellini, F; Kona, J; Tomasi, J; Solaro, R
Source: Self-asserted source
Juraj Kóňa via ResearcherID
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