Docking and Molecular Dynamics Calculations of Pyrrolidinone Analog MMK16 Bound to COX and LOX Enzymes
Neophytou , N., Leonis , G., Stavrinoudakis, N., Simčič , M., Grdadolnik , S. Golič, Papavassilopoulou, E., Michas, G., Moutevelis-Minakakis, P., Papadopoulos, M. G., Zing, M., Mavromoustakos, T.
Published in Molecular informatics (16.05.2011)
Published in Molecular informatics (16.05.2011)
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Strategies in the rational drug design
Mavromoustakos, T, Durdagi, S, Koukoulitsa, C, Simcic, M, Papadopoulos, M G, Hodoscek, M, Grdadolnik, S Golic
Published in Current medicinal chemistry (01.06.2011)
Published in Current medicinal chemistry (01.06.2011)
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Synthesis, structural characterization and biological studies of novel mixed ligand Ag(I) complexes with triphenylphosphine and aspirin or salicylic acid
Poyraz, M., Banti, C.N., Kourkoumelis, N., Dokorou, V., Manos, M.J., Simčič, M., Golič-Grdadolnik, S., Mavromoustakos, T., Giannoulis, A.D., Verginadis, I.I., Charalabopoulos, K., Hadjikakou, S.K.
Published in Inorganica Chimica Acta (01.09.2011)
Published in Inorganica Chimica Acta (01.09.2011)
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A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87-99
Mantzourani, E D, Tselios, T V, Grdadolnik, S Golic, Brancale, A, Platts, J A, Matsoukas, J M, Mavromoustakos, T M
Published in Journal of molecular graphics & modelling (01.09.2006)
Published in Journal of molecular graphics & modelling (01.09.2006)
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Copper(I)/(II) or silver(I) ions towards 2-mercaptopyrimidine: An exploration of a chemical variability with possible biological implication
Batsala, G.K., Dokorou, V., Kourkoumelis, N., Manos, M.J., Tasiopoulos, A.J., Mavromoustakos, T., Simčič, M., Golič-Grdadolnik, S., Hadjikakou, S.K.
Published in Inorganica Chimica Acta (15.03.2012)
Published in Inorganica Chimica Acta (15.03.2012)
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Design and structure–activity relationship of thrombin inhibitors with an azaphenylalanine scaffold: potency and selectivity enhancements via P2 optimization
Zega, A, Mlinšek, G, Šepic, P, Golič Grdadolnik, S, Šolmajer, T, Tschopp, T.B, Steiner, B, Kikelj, D, Urleb, U
Published in Bioorganic & medicinal chemistry (01.10.2001)
Published in Bioorganic & medicinal chemistry (01.10.2001)
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Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX‑1
Vrontaki, E, Leonis, G, Papadopoulos, M. G, Simcic, M, Grdadolnik, S. Golic, Afantitis, A, Melagraki, G, Hadjikakou, S. K, Mavromoustakos, T
Published in Journal of chemical information and modeling (21.12.2012)
Published in Journal of chemical information and modeling (21.12.2012)
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Conformational analysis of the ΜΒΡ83–99 (Phe91) and ΜΒΡ83–99 (Tyr91) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular Dynamics
Potamitis, C., Matsoukas, M.-T., Tselios, T., Mavromoustakos, T., Golič Grdadolnik, S.
Published in Journal of computer-aided molecular design (01.09.2011)
Published in Journal of computer-aided molecular design (01.09.2011)
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Interactions at the bilayer interface and receptor site induced by the novel synthetic pyrrolidinone analog MMK3
Fotakis, C., Gega, S., Siapi, E., Potamitis, C., Viras, K., Moutevelis-Minakakis, P., Kokotos, C.G., Durdagi, S., Grdadolnik, S. Golic, Sartori, B., Rappolt, M., Mavromoustakos, T.
Published in Biochimica et biophysica acta (01.03.2010)
Published in Biochimica et biophysica acta (01.03.2010)
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Conformation and bioactivity. Design and discovery of novel antihypertensive drugs
Mavromoustakos, T, Zervou, M, Zoumpoulakis, P, Kyrikou, I, Benetis, N P, Polevaya, L, Roumelioti, P, Giatas, N, Zoga, A, Minakakis, P Moutevelis, Kolocouris, A, Vlahakos, D, Grdadolnik, S Golic, Matsoukas, J
Published in Current topics in medicinal chemistry (01.01.2004)
Published in Current topics in medicinal chemistry (01.01.2004)
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A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg 91, Ala 96] MBP 87–99
Mantzourani, E.D., Tselios, T.V., Grdadolnik, S. Golič, Brancale, A., Platts, J.A., Matsoukas, J.M., Mavromoustakos, T.M.
Published in Journal of molecular graphics & modelling (2006)
Published in Journal of molecular graphics & modelling (2006)
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Development of a novel apigenin prodrug programmed for alkaline-phosphatase instructed self-inhibition to combat cancer
Diamantis, Dimitrios, Tsiailanis, Antonios D., Papaemmanouil, Christina, Nika, Maria-Christina, Kanaki, Zoi, Golic Grdadolnik, Simona, Babic, Andrej, Tzakos, Eleftherios Paraskevas, Fournier, Isabelle, Salzet, Michel, Kushwaha, Prem Prakash, Thomaidis, Nikolaos S., Rampias, Theodoros, Shankar, Eswar, Karakurt, Serdar, Gupta, Sanjay, Tzakos, Andreas G.
Published in Journal of biomolecular structure & dynamics (28.08.2023)
Published in Journal of biomolecular structure & dynamics (28.08.2023)
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Conformational analysis of the mu beta rho sub(83-99) (Phe super(91)) and mu beta rho sub(83-99) (Tyr super(91)) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular Dynamics
Potamitis, C, Matsoukas, M-T, Tselios, T, Mavromoustakos, T, Golic Grdadolnik, S
Published in Journal of computer-aided molecular design (01.09.2011)
Published in Journal of computer-aided molecular design (01.09.2011)
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Conformational analysis of the [Mu][Beta][Rho]^sub 83-99^ (Phe^sup 91^) and [Mu][Beta][Rho]^sub 83-99^ (Tyr^sup 91^) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular Dynamics
Potamitis, C, Matsoukas, M-t, Tselios, T, Mavromoustakos, T, Golic Grdadolnik, S
Published in Journal of computer-aided molecular design (01.09.2011)
Published in Journal of computer-aided molecular design (01.09.2011)
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Regioselective 1,3-dipolar cycloadditions of (1Z)-1-(arylmethylidene)-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-azomethine imines to acetylenic dipolarophiles
Turk, C, Svete, J, Stanovnik, B, Golic, L, Golic-Grdadolnik, S, Golobic, A, Selic, L
Published in Helvetica chimica acta (01.01.2001)
Published in Helvetica chimica acta (01.01.2001)
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A Simple Stereoselective Synthesis of Aplysinopsin Analogs
Selič, Lovro, Jakše, Renata, Lampič, Kristina, Golič, Ljubo, Golič-Grdadolnik, Simona, Stanovnik, Branko
Published in Helvetica chimica acta (04.10.2000)
Published in Helvetica chimica acta (04.10.2000)
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Synthesis and study of a cyclic angiotensin II antagonist analogue reveals the role of pi--pi interactions in the C-terminal aromatic residue for agonist activity and its structure resemblance with AT(1) non-peptide antagonists
Polevaya, L, Mavromoustakos, T, Zoumboulakis, P, Golic Grdadolnik, S, Roumelioti, P, Giatas, N, Mutule, I, Keivish, T, Vlahakos, D V, Iliodromitis, E K, Kremastinos, D T, Matsoukas, J
Published in Bioorganic & medicinal chemistry (01.06.2001)
Published in Bioorganic & medicinal chemistry (01.06.2001)
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