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Simona Golic Grdadolnik

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Magnetic Resonance Spectroscopy

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George Agelis; Eleni Gkini; Simona Golic Grdadolnik; Dimitra Kalavrizioti; Catherine Koukoulitsa; George Liapakis; Michael Maragoudakis; Thomas Mavromoustakos; Grigorios Megariotis; Georgia Melagraki; Manthos G Papadopoulos; Amalia Resvani; Athanasia Siafaka; Jirina Slaninová; Katerina Spyridaki; Tereza Tůmová; Demetrios V Vlahakos; Antreas Afantitis; John Matsoukas
Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers.
E Vrontaki; Simona Golic Grdadolnik; Georgia Melagraki; Manthos G Papadopoulos; M Simcic; Antreas Afantitis; S K Hadjikakou; G Leonis; Thomas Mavromoustakos
Comparative binding effects of aspirin and anti-inflammatory Cu complex in the active site of LOX-1.
Nicole Varvarigou; Marilena Vlachou; Eleni Vrontaki; Aphrodite Eikosipentaki; Simona Golic Grdadolnik; Dimitri Komiotis; Rodanthi Kompogennitaki; Georgios Leonis; Antigoni-Margarita Maniati; Thomas Mavromoustakos; Grigorios Megariotis; Manthos G Papadopoulos; Andrew Tsotinis
Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site.

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All Publications

2013: George Agelis; Eleni Gkini; Simona Golic Grdadolnik; Dimitra Kalavrizioti; Catherine Koukoulitsa; George Liapakis; Michael Maragoudakis; Thomas Mavromoustakos; Grigorios Megariotis; Georgia Melagraki; Manthos G Papadopoulos; Amalia Resvani; Athanasia Siafaka; Jirina Slaninová; Katerina Spyridaki; Tereza Tůmová; Demetrios V Vlahakos; Antreas Afantitis; John Matsoukas
Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers.
European journal of medicinal chemistry 2013;62():352-70.
2012: E Vrontaki; Simona Golic Grdadolnik; Georgia Melagraki; Manthos G Papadopoulos; M Simcic; Antreas Afantitis; S K Hadjikakou; G Leonis; Thomas Mavromoustakos
Comparative binding effects of aspirin and anti-inflammatory Cu complex in the active site of LOX-1.
Journal of chemical information and modeling 2012;52(12):3293-301.
2012: Nicole Varvarigou; Marilena Vlachou; Eleni Vrontaki; Aphrodite Eikosipentaki; Simona Golic Grdadolnik; Dimitri Komiotis; Rodanthi Kompogennitaki; Georgios Leonis; Antigoni-Margarita Maniati; Thomas Mavromoustakos; Grigorios Megariotis; Manthos G Papadopoulos; Andrew Tsotinis
Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site.
Bioorganic & medicinal chemistry 2012;20(21):6276-84.
2011: Dimitrios Ntountaniotis; Constantinos Potamitis; Michael Rappolt; Eleni Siapi; Alexios-Leandros Skaltsounis; Maria Halabalaki; Petros Chatzigeorgiou; Simona Golic Grdadolnik; Gregor Mali; Halabalaki Maria; Thomas Mavromoustakos
Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers.
Biochimica et biophysica acta 2011;1808(12):2995-3006.
2011: Tihomir Tomašić; Mihael Simčič; Didier Blanot; Stanislav Gobec; Simona Golic Grdadolnik; Danijel Kikelj; Andreja Kovač; Lucija Peterlin Mašič
Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting D-Glu- and diphosphate-binding sites.
European journal of medicinal chemistry 2011;46(9):3964-75.
2011: Izidor Sosič; Hélène Barreteau; Mihael Simčič; Roman Sink; Jozko Cesar; Anamarija Zega; Simona Golic Grdadolnik; Carlos A Contreras-Martel; Andréa Dessen; Ana Amoroso; Bernard Joris; Didier Blanot; Stanislav Gobec
Second-generation sulfonamide inhibitors of D-glutamic acid-adding enzyme: activity optimisation with conformationally rigid analogues of D-glutamic acid.
European journal of medicinal chemistry 2011;46(7):2880-94.
2011: Thomas Mavromoustakos; Manthos G Papadopoulos; M Simcic; Serdar Durdagi; Milan Hodoscek; Catherine Koukoulitsa; Simona Golic Grdadolnik
Strategies in the rational drug design.
Current medicinal chemistry 2011;18(17):2517-30.
2010: C Fotakis; S Gega; eleni siapi; C Potamitis; K Viras; Panagiota Moutevelis-Minakakis; Christoforos G Kokotos; Serdar Durdagi; Simona Golic Grdadolnik; B Sartori; M Rappolt; Thomas Mavromoustakos
Interactions at the bilayer interface and receptor site induced by the novel synthetic pyrrolidinone analog MMK3.
Biochimica et biophysica acta 2010;1798(3):422-32.
2010: Tihomir Tomasić; Nace Zidar; Andreja Kovac; Samo Turk; Mihael Simcic; Didier Blanot; Manica Müller-Premru; Metka Filipic; Simona Golic Grdadolnik; Anamarija Zega; Marko Anderluh; Stanislav Gobec; Danijel Kikelj; Lucija Peterlin-Masic
5-Benzylidenethiazolidin-4-ones as multitarget inhibitors of bacterial Mur ligases.
ChemMedChem 2010;5(2):286-95.
2009: Mihael Simcic; Milan Hodoscek; Jan Humljan; Katja Kristan; Uros Urleb; Darko Kocjan; Simona Golic Grdadolnik
NMR and molecular dynamics study of the binding mode of naphthalene-N-sulfonyl-D-glutamic acid derivatives: novel MurD ligase inhibitors.
Journal of medicinal chemistry 2009;52(9):2899-908.
2009: Constantinos Potamitis; Maria Zervou; Vassilis Katsiaras; Panagiotis Zoumpoulakis; Serdar Durdagi; Manthos G Papadopoulos; Joseph Hayes; Simona Golic Grdadolnik; Ioanna Kyrikou; Dimitris Argyropoulos; Georgia Vatougia; Thomas Mavromoustakos
Antihypertensive drug valsartan in solution and at the AT1 receptor: conformational analysis, dynamic NMR spectroscopy, in silico docking, and molecular dynamics simulations.
Journal of chemical information and modeling 2009;49(3):726-39.
2008: Joze Grdadolnik; Simona Golic Grdadolnik; Franc Avbelj
Determination of conformational preferences of dipeptides using vibrational spectroscopy.
The journal of physical chemistry. B 2008;112(9):2712-8.
2008: Efthimia D Mantzourani; Klemen Blokar; Theodore Tselios; John Matsoukas; James A Platts; Thomas Mavromoustakos; Simona Golic Grdadolnik
A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitis.
Bioorganic & medicinal chemistry 2008;16(5):2171-82.
2007: Franc Avbelj; Simona Golic Grdadolnik
Electrostatic screening and backbone preferences of amino acid residues in urea-denatured ubiquitin.
Protein science : a publication of the Protein Society 2007;16(2):273-84.
2006: Efthimia D Mantzourani; Theodore Tselios; Simona Golic Grdadolnik; James A Platts; Andrea Brancale; George N Deraos; John Matsoukas; Thomas Mavromoustakos
Comparison of proposed putative active conformations of myelin basic protein epitope 87-99 linear altered peptide ligands by spectroscopic and modelling studies: the role of positions 91 and 96 in T-cell receptor activation.
Journal of medicinal chemistry 2006;49(23):6683-91.
2006: Marko Oblak; Simona Golic Grdadolnik; Miha Kotnik; Arnaud Poterszman; R Andrew Atkinson; Helene Nierengarten; Dominique Desplancq; Dino Moras; Tom Solmajer
Biophysical characterization of an indolinone inhibitor in the ATP-binding site of DNA gyrase.
Biochemical and biophysical research communications 2006;349(4):1206-13.
2006: Efthimia D Mantzourani; Theodore Tselios; Simona Golic Grdadolnik; Andrea Brancale; James A Platts; John Matsoukas; Thomas Mavromoustakos
A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87-99.
Journal of molecular graphics & modelling 2006;25(1):17-29.
2006: Panagiotis Zoumpoulakis; Aggeliki Politi; Simona Golic Grdadolnik; John Matsoukas; Thomas Mavromoustakos
Structure elucidation and conformational study of V8: a novel synthetic non peptide AT(1) antagonist.
Journal of pharmaceutical and biomedical analysis 2006;40(5):1097-104.
2006: Franc Avbelj; Simona Golic Grdadolnik; Joze Grdadolnik; Robert L Baldwin
Intrinsic backbone preferences are fully present in blocked amino acids.
Proceedings of the National Academy of Sciences of the United States of America 2006;103(5):1272-7.
2006: Tina Korosec; Joze Grdadolnik; Uros Urleb; Darko Kocjan; Simona Golic Grdadolnik
Synthesis, conformation, and stereodynamics of a salt of 2-{[2-(3,4-dichlorophenyl)- ethyl]propylamino}-1-pyridin-3-ylethanol.
The Journal of organic chemistry 2006;71(2):792-5.
2005: Marko Oblak; Simona Golic Grdadolnik; Miha Kotnik; Roman Jerala; Metka Filipic; Tom Solmajer
In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors.
Bioorganic & medicinal chemistry letters 2005;15(23):5207-10.
2005: Agnes Kapou; Manolis Fousteris; SOTIRIS NIKOLAROPOULOS; Maria Zervou; Simona Golic Grdadolnik; Panagiotis Zoumpoulakis; Ioanna Kyrikou; Thomas Mavromoustakos
2D NMR and conformational analysis of a prototype anti-tumour steroidal ester.
Journal of pharmaceutical and biomedical analysis 2005;38(3):428-34.
2004: Thomas Mavromoustakos; Maria Zervou; Panagiotis Zoumpoulakis; Ioanna Kyrikou; Nikolas P Benetis; Ludmila Polevaya; Panagiota Roumelioti; Nektarios Giatas; Anastasia Zoga; P Moutevelis Minakakis; Antonios Kolocouris; Demetrios V Vlahakos; Simona Golic Grdadolnik; John Matsoukas
Conformation and bioactivity. Design and discovery of novel antihypertensive drugs.
Current topics in medicinal chemistry 2004;4(4):385-401.
2003: Panagiotis Zoumpoulakis; Anastasia Zoga; Panagiota Roumelioti; Nektarios Giatas; Simona Golic Grdadolnik; Efstathios K Iliodromitis; Demetrios V Vlahakos; Dimitrios Th Kremastinos; John Matsoukas; Thomas Mavromoustakos
Conformational and biological studies for a pair of novel synthetic AT1 antagonists: stereoelectronic requirements for antihypertensive efficacy.
Journal of pharmaceutical and biomedical analysis 2003;31(5):833-44.
2003: Ioanna Kyrikou; Simona Golic Grdadolnik; Maria Tatari; Constantine Poulos; Thomas Mavromoustakos
Structural elucidation and conformational properties of the toxin paralysin beta-Ala-Tyr.
Journal of pharmaceutical and biomedical analysis 2003;31(4):713-21.
2003: Nicolaos Avlonitis; Eleni Lekka; Anastasia Detsi; Maria Koufaki; Theodora Calogeropoulou; Efi Scoulica; Eleni Siapi; Ioanna Kyrikou; Thomas Mavromoustakos; Andrew Tsotinis; Simona Golic Grdadolnik; Alexandros Makriyannis
Antileishmanial ring-substituted ether phospholipids.
Journal of medicinal chemistry 2003;46(5):755-67.
2002: Panagiota Roumelioti; Ludmila Polevaya; Panagiotis Zoumpoulakis; Nektarios Giatas; Ilze Mutule; Tatjana Keivish; Anastasia Zoga; Demetrios V Vlahakos; Efstathios K Iliodromitis; Demetrios Kremastinos; Simona Golic Grdadolnik; Thomas Mavromoustakos; John Matsoukas
Design, synthesis and biological evaluation of cyclic angiotensin II analogues with 3,5 side-chain bridges. Role of C-terminal aromatic residue and ring cluster for activity and implications in the drug design of AT1 non-peptide antagonists.
Bioorganic & medicinal chemistry letters 2002;12(18):2627-33.
2002: Panagiotis Zoumpoulakis; Simona Golic Grdadolnik; John Matsoukas; Thomas Mavromoustakos
Structure elucidation and conformational properties of eprosartan, a non peptide angiotensin II AT1 antagonist.
Journal of pharmaceutical and biomedical analysis 2002;28(1):125-35.
2002: Theodore Tselios; Vasso Apostolopoulos; Ioanna Daliani; Spyros Deraos; Simona Golic Grdadolnik; Thomas Mavromoustakos; Maria Melachrinou; Sotiria Thymianou; Lesley Probert; Athanasia Mouzaki; John Matsoukas
Antagonistic effects of human cyclic MBP(87-99) altered peptide ligands in experimental allergic encephalomyelitis and human T-cell proliferation.
Journal of medicinal chemistry 2002;45(2):275-83.
2001: Antonios Kolocouris; Thomas Mavromoustakos; Costas Demetzos; A Terzis; Simona Golic Grdadolnik
Structure elucidation and conformational properties of a novel bioactive clerodane diterpene using a combination of high field NMR spectroscopy, computational analysis and X-ray diffraction.
Bioorganic & medicinal chemistry letters 2001;11(6):837-40.
1998: Simona Golic Grdadolnik; Primoz Pristovsek; D F Mierke
Vancomycin: conformational consequences of the sugar substituent.
Journal of medicinal chemistry 1998;41(12):2090-9.
1997: Simona Golic Grdadolnik; D F Mierke
Structural characterization of the molecular dimer of the peptide antibiotic vancomycin by distance geometry in four spatial dimensions.
Journal of chemical information and computer sciences 1997;37(6):1044-7.
1997: Simona Golic Grdadolnik; D F Mierke
Vancomycin: interactions with a model cell membrane.
Biopolymers 1997;42(6):627-32.
1996: M Eberstadt; Simona Golic Grdadolnik; Gerd Gemmecker; Horst Kessler; Andreas Buhr; Bernhard Erni
Solution structure of the IIB domain of the glucose transporter of Escherichia coli.
Biochemistry 1996;35(35):11286-92.
1994: Simona Golic Grdadolnik; D F Mierke; G Byk; Irina Zeltser; Chaim Gilon; Horst Kessler
Comparison of the conformation of active and nonactive backbone cyclic analogs of substance P as a tool to elucidate features of the bioactive conformation: NMR and molecular dynamics in DMSO and water.
Journal of medicinal chemistry 1994;37(14):2145-52.