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Molecular Analysis

Publications in peer review journals


M. Mondal, N. Radeva, H. Koster, A. Park, C. Potamitis, M. Zervou, G. Klebe, A. K. H. Hirsch. Structure-Based Design of Novel Inhibitors of the Aspartic Protease Endothiapepsin Exploiting Dynamic Combinatorial Chemistry. Angew Chem Int Ed, Accepted (2014)

V.J. Sinanoglou, P. Zoumpoulakis, G. Heropoulos, C. Proestos, A. Ćirić, J. Petrovic, J. Glamoclija and M. Sokovic, Lipid and fatty acid profile of the edible fungus Laetiporus sulphurous. Antifungal and antibacterial properties, Journal of Food Science and Technology, Accepted, (2014).

V.J. Sinanoglou, K. Kokkotou, Ch. Fotakis, I. Strati, C. Proestos and P. Zoumpoulakis, Monitoring the Quality of γ-irradiated Macadamia Nuts Based on Lipid Profile Analysis and Chemometrics. Traceability Models of Irradiated Samples, Food Research International, DOI: 10.1016/j.foodres.2014.01.015. Accepted, (2014).



M. Zervou, Z. Cournia, C. Potamitis, G. Patargias, S. Durdagi, S. Golic Grdadolnik, T. Mavromoustakos. Insights into the Molecular Basis of Action of the AT1 Antagonist Losartan Using a Combined NMR Spectroscopy and Computational Approach. BBA Biomembranes,  doi: 10.1016/j.bbamem.2013.12.012, (2013).

C. Fotakis, D. Christodouleas, K. Kokkotou, M. Zervou, P. Zoumpoulakis, P.Moulos, M. Liouni, A. Calokerinos. NMR metabolite profiling of Greek grape marc spirits, Food Chemistry,138 1837–1846, (2013).

K.A. Vallianatou, D.J. Frank, G. Antonopoulou, S. Georgakopoulos, E. Siapi, M Zervou, I.D.Kostas, Rhodium-catalyzed asymmetric olefin hydrogenation by easily accessible aniline- and pyridine-derived chiral phosphites. Tetrahedron Letters, 54 ( 5) 397-401, (2013).

C. Proestos, K. Lytoudi, O.K. Mavromelanidou, P. Zoumpoulakis, V.J. Sinanoglou, Antioxidant Capacity of Selected Plant Extracts and Their Essential Oils, Antioxidants, doi:10.3390/antiox2010011, (2013).

V.J. Sinanoglou, I.F. Strati, S.M. Bratakos, C. Proestos, P. Zoumpoulakis, and S. Miniadis-Meimaroglou, On the combined application of Iatroscan-TLC-FID and GC-FID to identify total, neutral and polar lipids and their fatty acids extracted from foods, ISRN Chromatography,, (2013).

E. Kritsi, C. Potamitis, S. Durdagi, P. Zoumpoulakis, S.Golic Grdadolnik, T. Mavromoustakos, Molecular insights into the AT1 antagonism based on biophysical and in silico studies of telmisartan, Med. Chem. Res., 22, 10, 4842-4857, (2013).

C. Proestos, P. Zoumpoulakis, V.J. Sinanoglou, Determination of Plant Bioactive Compounds. Antioxidant Capacity and Antimicrobial Screening, Focusing on Modern Food Industry, 2, 1, 26-35, (2013).

A. Tsatsaroni, G. Zoidis, P. Zoumpoulakis, A. Tsotinis, M.C. Taylor, J.M. Kelly, G. Fytas, An E/Z conformational behaviour study on the trypanocidal action of lipophilic spiro carbocyclic 2,6-diketopiperazine-1-acetohydroxamic acids. Tetrahedron Letters, 54, 3238–3240, (2013).

Ch. Fotakis, K. Kokkotou, P. Zoumpoulakis, M. Zervou, NMR metabolite fingerprinting in grape derived products: An overview. Food Research International,  54, 1184–1194, (2013).

M.T. Matsoukas, C. Potamitis , P. Plotas , M.E. Androutsou, G. Agelis , J. Matsoukas , and P. Zoumpoulakis, Insights into AT1 Receptor Activation through AngII Binding Studies, J. Chem. Inf. Model., DOI: 10.1021/ci4003014, (2013).



C. Fotakis, G. Megariotis, D. Christodouleas, E. Kritsi,  P. Zoumpoulakis, D. Ntountaniotis, M. Zervou, C. Potamitis, A. Hodzic, G. Pabst,  M. Rappolt, G. Mali, J. Baldus, C. Glaubitz, M. G. Papadopoulos, A. Afantitis, G. Melagraki,  T.Mavromoustakos, Comparative study of the AT1 receptor prodrug antagonist candesartan cilexetil with other sartans on the interactions with membrane bilayers. Biochim. Biophys. Acta-Biomembanes, 1818, 3107–3120, (2012).

S. Feuillastre, A. S. Chajistamatiou, C. Potamitis, M. Zervou, P. Zoumpoulakis, E. D. Chrysina, JP Praly, S. Vidal, C-Glucosylated malonitrile as a key intermediate towards carbohydrate-based glycogen phosphorylase inhibitors, Biorg. Med. Chem,  20(18), 5592-9, (2012).
C. Fotakis, D. Christodouleas, M. Zervou, K. Papadopoulos, A.C. Calokerinos, Classification of Wines based on different Antioxidant Responses to Spectrophotometric Analytical methods. Anal.Lett. 45 (5-6), 581-591, (2012).

P. Zoumpoulakis, V.J. Sinanoglou, A. Batrinou, I.F. Strati, S. Miniadis-Meimaroglou, and K. Sflomos, A combined methodology to detect <gamma>-irradiated white sesame seeds and evaluate the effects on fat content, physicochemical properties and protein allergenicity, Food Chemistry, 131, 713–721, (2012).

P. Zoumpoulakis, Ch. Camoutsis, G. Pairas, M. Soković, J. Glamočlija, C. Potamitis, A. Pitsas, Synthesis of novel sulfonamide-1,2,4-triazoles, 1,3,4-thiadiazoles and 1,3,4-oxadiazoles, as potential antibacterial and antifungal agents. Biological Evaluation and Conformational Analysis Studies, Bioorg. Med. Chem. 20, 1569–1583, (2012).

A. Hodzic, P. Zoumpoulakis, G. Pabst, T. Mavromoustakos and M. Rappolt, Losartan’s affinity to fluid bilayers modulates lipid–cholesterol interactions, Phys. Chem. Chem. Phys., 14, 4780–4788, (2012)..

A.L. Kantsadi, J.M. Hayes, S. Manta, V.T. Skamnaki, C. Kiritsis, A.M. G. Psarra, Z. Koutsogiannis, A. Dimopoulou, S. Theofanous, N. Nikoleousakos, P. Zoumpoulakis, M. Kontou, G. Papadopoulos, S. E. Zographos, D. Komiotis, and D.D. Leonidas, The s-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b. Chem.Med.Chem., DOI: 10.1002/cmdc.201100533

S. Manta, A. Xipnitou, C. Kiritsis, A.L. Kantsadi, J.M. Hayes, V.T. Skamnaki, C. Lamprakis, M. Kontou, P. Zoumpoulakis, S.E. Zographos, D.D. Leonidas, D. Komiotis, 3’-Axial CH2OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why, Chem Biol Drug Des, 79, 663–673, (2012).

A.L. Kantsadi, S. Manta, A.-M.G. Psarra, A. Dimopoulou, C. Kiritsis, V. Parmenopoulou, V.T. Skamnaki, P. Zoumpoulakis, S.E. Zographos, D.D. Leonidas, D. Komiotis, The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment, EJMECH, DOI: 10.1016/j.ejmech.2012.06.029.

V. Parmenopoulou, D.S. Chatzileontiadou, S. Manta, S. Bougiatioti, P. Maragozidis, D.N. Gkaragkouni, E. Kaffesaki, A.L. Kantsadi, V.T. Skamnaki, S.E. Zographos, P. Zounpoulakis, N.A. Balatsos, D. Komiotis, D.D. Leonidas, Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation. Bioorg. Med. Chem. 20, 24, 7184–7193, (2012).



C. Fotakis, D. Christodouleas, P. Zoumpoulakis, E. Kritsi, N. P. Benetis, T. Mavromoustakos, H. Reis, A. Gili, M. G. Papadopoulos, M. Zervou. Comparative Biophysical Studies of Sartan Class Drug Molecules Losartan and Candesartan (CV-11974) with Membrane Bilayers. J. Phys. Chem. B, 115 (19),  6180-6192, (2011).       

E. D. Tzika, M. Christoforou, S. Pispas, M. Zervou, V. Papadimitriou, T.G. Sotiroudis, E. Leontidis and A. Xenakis. Influence of Nanoreactor Environment and Substrate Location on the Activity of Horseradish Peroxidase in Olive Oil Based Water-in-Oil Microemulsions. Langmuir, 27(6), 2692-2700, (2011). 

A. Skendi, C.G. Biliaderis, M.S. Izydorczyk, M. Zervou, P. Zoumpoulakis, Structural variation and rheological properties of water-extractable arabinoxylans from six Greek wheat cultivars. Food Chem., 126(2), 526-536, (2011).

C. Gabriel, C.P. Raptopoulou, V. Psycharis, A. Terzis, M. Zervou, C. Mateescu, A. Salifoglou, 1D-3D Metal-Organic Lattice Assemblies thro6ugh Chemical Reactivity and MetalAssisted Ligand Transformations in Ternary Pb(II)-Phenanthroline-(Hydroxy)dicarboxylic Acid Systems. Crystal Growth & Design, 11, 382-395, (2011). 

M. Kaliva, C. Gabriel ,C. P. Raptopoulou,A. Terzis,G. Voyiatzis, M. Zervou, C. Mateescu, A. Salifoglou, A Unique Dinuclear Mixed V(V) Oxo-peroxo Complex in the Structural Speciation of the Ternary V(V)-Peroxo-citrate System. Potential Mechanistic and Structural Insight into the Aqueous Synthetic Chemistry of Dinuclear V(V)-Citrate Species with H2O2. Inorg. Chem.,50 (22), 11423–11436, (2011).

Y. Gardikis, P. G. Tsoungas, C.Potamitis, G. Pairas, M. Zervou, P. Cordopatis, Xanthones in Heterocyclic Synthesis. An Efficient and General Route for the Synthesis of Regioselectively Substituted Phthalazines. Heterocycles, 83 (6), 1291-1302, (2011).

Y. Gardikis, P. G. Tsoungas, C. Potamitis, M. Zervou, P. Cordopatis. Xanthones in Heterocyclic Synthesis. An Efficient Route for the Synthesis of C-3 o-Hydroxyaryl Substituted 1,2-Benzisoxazoles and Their N-Oxides, Potential Scaffolds for Angiotensin(II) Antagonist Hybrid Peptides.  Heterocycles, 83 (5), 1077-1091, (2011).

P. Moutevelis-Minakakis, E. Papavassilopoulou, G. Michas, K. Georgikopoulou, M.-E. Ragoussi, N. Neophytou, P. Zoumpoulakis, T. Mavromoustakos, D. Hadjipavlou-Litina, Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activity, Bioorg. Med. Chem. 19, 2888–2902, (2011).

M.T. Matsoukas, P. Zoumpoulakis, T. Tselios, Conformational Analysis of Aliskiren, a Potent Renin Inhibitor, Using High-Resolution Nuclear Magnetic Resonance and Molecular Dynamics Simulations, J. Chem. Inf. Model., 26 51(9), 2386-9, (2011).

D. Ntountaniotis, G. Mali, S.G. Grdadolnik, M. Halabalaki, A.-L. Skaltsounis, C. Potamitis, E. Siapi, P. Chatzigeorgiou, M. Rappolt, T. Mavromoustakos, Thermal, dynamic and structural properties of drug AT1 antagonist olmesartan in lipid bilayers Biochim. Biophys. Acta  1808, 2995-3006(2011).

C. Potamitis, M. Matsoukas, T. Tselios, T. Mavromoustakos, S. Golic Grdadolnik.  Conformational Analysis of [Phe91]ΜΒΡ83-99 and [Tyr91]ΜΒΡ83-99 peptide analogues and study of their interactions with HLA-DR2 receptor and human TCR receptors using Molecular Dynamics J. Comput. Aided Mol. Des. 25, 837-853, (2011).

C. Koukoulitsa, S. Durdagi, E. Siapi, C. Villalonga-Barber, A. Xanthippi, R. S. Barry, M. Micha-Screttas, N. A. Michael, A. Kakoulidou,  T. Mavromoustakos,  Comparison of thermal effects of stilbenoid analogs in lipid bilayers using differential scanning calorimetry and molecular dynamics: correlation of thermal effects and topographical position with antioxidant activity.  Eur. Biophys. J. 40, 865-875 (2011).

C. Potamitis, P. Chatzigeorgiou, E. Siapi, T. Mavromoustakos, A. Hodzic, F. Cacho-Nerin, P. Laggner, M. Rappolt, Interactions of the AT1 antagonist valsartan with dipalmitoyl-phosphatidylcholine bilayers, Biochim. Biophys. Acta 1808, 1753-1763 (2011).



K. Gardikis, S. Hatziantoniou, M. Bucos, M. Zervou, C.G. Screttas, B.R. Steele, M. Ionov,
M. Micha-Screttas, D. Fessas, C. Demetzos Development and characterization of a new drug delivery nanosystem combining liposomal and dendrimeric technology (liposomal locked-in dendrimers) for cancer therapy. J Pharm Sci. , 99(8), 3561-3571, (2010).

A. Politi, M. Zervou, H. Triantafyllidi, P. Zoumpoulakis, A. Zoga, P. Moutevelis-Minakakis, G. Kokotos, T. Mavromoustakos, E.K. Iliodromitis, D.Th. Kremastinos, Hypertension study in anesthetized rabbits: Protocol proposal for AT1 antagonists screening. JRAAS,,11 (2), 103 – 110, (2010).

C. Camoutsis, A. Geronikaki, A. Ciric, M. Soković, P. Zoumpoulakis, M. Zervou, Sulfonamide-1,2,4-thiadiazole derivatives as antifungal and antibacterial agents: Synthesis, biological evaluation, lipophilicity, and conformational studies, Chem. Pharm. Bull., 58(2), 160-167, (2010).

V. Saroglou, A. Karioti, A. Rancic, K. Dimas, C. Koukoulitsa, M. Zervou, H. Skaltsa.  Sesquiterpene Lactones from Anthemis melanolepis and Their Antibacterial and Cytotoxic Activities. Prediction of Their Pharmacokinetic Profile. J. Nat. Prod.,73, 242–246, (2010).

M. Plioukas, A. Termentzi, C. Gabrieli, M. Zervou, P. Kefalas, E. Kokkalou, Novel acylflavones from Sideritis syriaca ssp. Syriaca.  Food Chemistry, 123, 1136-1141, (2010).

J. Wiecek, D. Kovala-Demertzi, Z. Ciunik, M. Zervou, M.A. Demertzis, Diorganotin Complexes of a Thiosemicarbazone. Synthesis, Properties, X-Ray Crystal Structure and Antiproliferative Activity of Diorganotin Complexes, Bioinorganic Chemistry and Applications, DOI:, (2010).

J. Wiecek, D. Kovala-Demertzi, Z. Ciunik, J. Wietrzyk, M. Zervou, M. Demertzis, Organotin compound derived from 3-hydroxy-2-formylpyridine- semicarbazone. Synthesis, crystal structure and anti-proliferative activity, Bioinorganic Chemistry and Applications, DOI:, (2010).
S. Durdagi, M.G. Papadopoulos, P.G. Zoumpoulakis, C. Koukoulitsa, T. Mavromoustakos, A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis, Molecular Diversity, 14, 257-276, (2010).

K. Omar, A. Geronikaki, P. Zoumpoulakis, C. Camoutsis, M. Sokovic, A. Ciric, J. Clamoclija, Novel 4-thiazolidinone derivatives as potential antifungal and antibacterial drugs, Bioorg. Med. Chem. 18, 426-432, (2010).

C. Fotakis, S. Gega, E. Siapi, C. Potamitis, K. Viras, P. Moutevelis-Minakakis, G. Kokotos, S. Durdagi, S. Grdadolnik, B. Sartori,M.Rappolt, T. Mavromoustakos, Drug interactions at the bilayer interface and receptor site induced by the novel synthetic pyrrolidinone analog MMK3. Biochim. Biophys. Acta 1798(3) 422-432 (2010).



C. Potamitis,  M Zervou, V. Katsiaras,  P Zoumpoulakis,  S. Durdagi,  M. Papadopoulos,  J. Hayes, S. Grdadolnik,  I. Kyrikou,  D. Argyropoulos,  G.Vatougia, T. Mavromoustakos. Antihypertensive Drug Valsartan in solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in silico Docking and Molecular Dynamics Simulations. J. Chem. Inf. Mod. 49, 726-739 (2009).

C. Fotakis, D. Christodouleas, P. Chatzigeorgiou, M. Zervou, N. P. Benetis, K. Viras, T.M. Mavromoustakos. Application of a novel CP-31P NMR methodology to study the possible interdigitation effect of losartan in phospholipids bilayers. Comparison with Raman spectroscopy dataBiophys. J. 96, 2227-2236 (2009). 

T. Calogeropoulou, N. Avlonitis, V. Minas, X. Alexi, A. Pantzou, I. Charalampopoulos, M. Zervou, V. Vergou, E.S. Katsanou, I. Lazaridis, M. Alexis, A. Gravanis, Novel DHEA Derivatives with Anti-Apoptotic Neuroprotective activity. J. Med. Chem.52 (21), 6569–6587, (2009).

E. Ioannou, M. Zervou, A. Ismail, L. Ktari, C. Vagias, V. Roussis 2,6-Cyclo-xenicanes from the brown algae Dilophus fasciola and Dilophus spiralis. Tetrahedron, 65, 10565–10572 (2009).

A. Termentzi, M. Zervou, E. Kokkalou, Isolation and structure elucidation of novel phenolic constituents from Sorbus domestica fruits. Food Chemistry, 116(1), 371-381, (2009).

E. Ioannou, A. F. Abdel-Razika, M. Zervou, D. Christofidis, X. Alexi, C. Vagias, M. N. Alexis, V. Roussis. 5α,8α, Epidioxysterols from the gorgonian Eunicella cavolini and the ascidian Trididemnum inarmatum: Isolation and evaluation of their antiproliferative activity. Steroids, 74, 73–80, (2009).

C. Gabriel, M. Kaliva, J. Venetis, P. Baran, I. Rodriguez-Escudero, G. Voyiatzis, M. Zervou, A. Salifoglou, Aqueous V(V)-Peroxo-Amino Acid Chemistry. Synthesis, Structural and Spectroscopic Characterization of Unusual Ternary Dinuclear Tetraperoxo Vanadium(V)-Glycine Complexes, Inorg. Chem. 48, 476-487, (2009).

V. Georgantas, N. Kotsakis, C.P. Raptopoulou, A. Terzis, L. Iordanidis, M. Zervou, T. Jakusch T. Kiss, A. Salifoglou, Synthetic, structural and solution speciation studies on binary  Al(III)–(carboxy)phosphonate systems. Relevance to the neurotoxic potential of Al(III), Journal of Inorganic Biochemistry, 103,1530–1541, (2009).



I. Kyrikou, C. Poulos,  N. Benetis, K. Viras, M. Zervou, T. Mavromoustakos, Interactions of the dipeptide paralysin β-Ala-Tyr and the aminoacid Glu with phospholipids bilayers.   Biochim. Biophys. Acta 1778, 113-124 (2008).

E.D. Mantzourani, K. Blokar, T.V. Tselios, J.M. Matsoukas, J.A.Platts, T.M. Mavromoustakos, S.G. Grdadolnik  A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitis. Bioorg.  Med. Chem. 16, 2171–2182, (2008).

P. Panagiotidis, E.T. Kefalas, C.P. Raptopoulou, A. Terzis, T. Mavromoustakos, A. Salifoglou. Delving into the complex picture of Ti(IV)-citrate speciation in aqueous media: Synthetic, structural, and electrochemical considerations in mononuclear Ti(IV) complexes containing variably deprotonated citrate ligands. Inorg. Chim. Acta 361, 2210-2224 (2008).

C. Koukoulitsa, M. Zervou, C. Demetzos, T. Mavromoustakos. Comparative docking studies of labdane-type diterpenes with forskolin. Bioorg. Med. Chem. 16, 8237-8243 (2008).

A. Kapou, N.P. Benetis, S. Durdagi, S. Nikolaropoulos, T. Mavromoustakos, Synthesis and 3D QSAR/CoMFA and CoMSIA Studies on Antileukemic Steroidal Esters coupled with Conformationally Flexible Nitrogen Mustards, Journal of Chemical Information and Modeling, 48(11) 2254-2264 (2008).

Armata, C. Gabrieli , A. Termentzi, M. Zervou,  E. Kokkalou. Constituents of Sideritis syriaca. ssp. Syriaca (Lamiaceae) and their antioxidant activity. Food Chemistry, 111, 179–186(2008).

I.R. Ezabadi, Ch. Camoutsis, P. Zoumpoulakis, A. Geronikaki, M. Socovic, J. Clamocilija and A. Ciric, Sulfonamide-1,2,4-triazole derivatives as antifungal and antibacterial agents. Synthesis, Biological evaluation, Lipophilicity and Conformational Studies. Bioorg. Med. Chem.,16, 1150-1161, (2008).

C. Gabriel, M. Menelaou, M. Daskalakis, A. Lakatos, T. Kiss, C. Mateescu, R.G. Raptis, P. Zoumpoulakis and A. Salifoglou, Synthetic, structural, spectroscopic and solution speciation studies of the binary Al(III)-quinic acid system. Relevance of soluble Al(III)-hydroxycarboxylate species to molecular toxicity. Polyhedron 27 (13), 2911-2920. (2008).

S. Durdagi, H. Reis, M.G. Papadopoulos, T. Mavromoustakos. Comparative Molecular Dynamics Simulations of the Potent Synthetic Classical Cannabinoid Ligand AMG3 in Solution and at Binding Site of the CB1 and CB2 Receptors,  Bioorg. Med. Chem. 16, 7377-7387 (2008).

S. Durdagi, T. Mavromoustakos, M.G. Papadopoulos, 3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullarene-based HIV-1 PR inhibitors, Bioorg. Med. Chem. Lett. 18, 6283-6289 (2008).    
S. Durdagi, T. Mavromoustakos, N. Chronakis, MG Papadopoulos. Computational design of novel fullerene analogs as potential HIV 1 PR inhibitors: Analysis of the binding interactions between fullerene Inhibitors and HIV 1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations. Bioorg. Med. Chem., 16, 9957-9974, (2008).    



A. Kapou, N. Avlonitis, A. Detsi, M. Koufaki, T. Calogeropoulou, N.P. Benetis, S. Nikolaropoulos and T. Mavromoustakos,CoMFA and CoMSIA 3D-Quantitative Structure-Activity Relationships of New Flexible Antileishmanial Ether Phospholipids, Bioorg. Med. Chem. 15, 1252-1265 (2007).

S. Durdagi, A. Kapou, T. Kourouli, T. Andreou, S.P. Nikas, V.R. Nahmias, D. P. Papahatjis, M.G. Papadopoulos, T. Mavromoustakos, The Application of 3D-QSAR Studies for Novel Cannabinoid Ligands Substituted at the C1΄ Position of the Alkyl Side Chain on the Structural Requirements for Binding to Cannabinoid Receptors CB1 and CB2, J. Med. Chem 50(12), 2875-2885 (2007).

E.D. Mantzourani, J.A. Platts, A. Brancale, T.M. Mavromoustakos, T.V. Tselios, Molecular dynamics at the receptor level of immunodominant myelin basic protein epitope 87-99 implicated in multiple sclerosis and its antagonists altered peptide ligands: Triggering of immune response, J. Mol. Graph. Mod., 26 (2), 471-481 (2007).

S. Zinovia, D. Georgios, S. Georgios, E. Mantzourani, T. Mavromoustakos, I. Friligou, T.  Theodore. Putative Bioactive Conformations of Amide Linked Cyclic Myelin Basic Protein Peptide Analogues Associated with Experimental Autoimmune Encephalomyelitis, J. Med. Chem. 50, 6039-6047, (2007).

S. Durdagi, M. Papadopoulos, D. Papahadjis, T.  Mavromoustakos, Combined 3D QSAR and Molecular Docking Studies to Reveal Novel Cannabinoid Ligands with Optimum Binding ActivityBioorg. Med. Chem. Lett., 17, 6754-6763 (2007)



M.K. Keramida, T. Tselios, E. Mantzourani, K. Papazisis, T. Mavromoustakos, C. Klaussen, G. Agelis, S. Deraos, H. Habibi and J. Matsoukas, Design, Synthesis and Molecular Modelling of a Novel Amide Linked Cyclic GnRH Analogue Cyclo(4-9)[Lys4,D-Trp6,Glu9]GnRH: Stimulation of Gonadotropin Gene Expression,  J. Med. Chem. 49(1) 105-110 (2006).

V. Saroglou, S. Xatziantoniou, M. Smyrniotakis, I. Kyrikou, T. Mavromoustakos, A. Zompra, V. Magafa, P. Cordopatis, C. Demetzos. Synthesis, liposomal formulation and thermal effects on phospholipids bilayers of leuprolide J. Pept. Sci 12, 43-50 (2006)

E.D. Mantzourani, T.V. Tselios, S. Golic Grdadolnik, J.M. Matsoukas, A. Brancale, J.A. Platts, T.M. Mavromoustakos. A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87-99.  J. Mol.  Graph.  and Mod.  25(1),17-29, (2006).

T. Mavromoustakos, P. Moutevelis-Minakakis, C.G. Kokotos, P. Kontogianni, A. Politi, P. Zoumpoulakis, J. Findlay, A. Cox, A. Balmforth, A. Zoga, E. Iliodromitis, Synthesis, binding studies, and in vivo biological evaluation of novel non-peptide antihypertensive analogs, Bioorganic and Medicinal Chemistry 14, 4353-4360 (2006).

C. Koukoulitsa, I. Kyrikou, C. Demetzos, T. Mavromoustakos, The Role of the Anticancer Drug Vinorelbine in Lipid Bilayers Using Differential Scanning Calorimetry and Molecular Modeling, Chem. Phys. Lipids 144, 85-95 (2006).  

E. Matzourani, T. Tselios, S. Dearos, J. Matsoukas, T. Mavromoustakos, Comparison of proposed bioactive conformations of altered peptide ligands of Myelin Basic Protein (Ala91,96) MBP87-99 and (Arg91, Ala96) MBP87-99 by Spectroscopic and Modelling studies.  J. Med. Chem. 49, 6683-6691 (2006).

P. Zoumpoulakis, A. Politi,  S. G. Grdadolnik, J. Matsoukas, T. Mavromoustakos, Structure elucidation and conformational study of V8. A novel synthetic non peptide AT1 antagonist. J. Pharm. Biomed. Anal., 40, 1097-1104, (2006).

T.M. Mavromoustakos, M.V. Zervou and P.G. Zoumpoulakis, Design and Discovery of Novel Antihypertensive Drugs through Conformation and Bioactivity Studies, Frontiers in Medicinal Chemistry, 3, 87-111, (2006).



I. Kyrikou, T. Mavromoustakos, S. Xatziantoniou, A. Georgopoulos, C. Demetzos. A comparative study of the effects of cholesterol and sclareol, a bioactive labdane diterpene, on phospholipids bilayers, Chem. Phys. Lipids 133, 125-134 (2005).

 E. Siapi, T. Mavromoustakos, V.Trandafir , B. Albu  and P. Budrugeac. The Use of Differential Scanning Calorimetry to Study the Effects of Gentamycin on Fibrous Collageneous Membranes. Thermochimica Acta  425, 165-171 (2005).

J. Matsoukas, V. Apostolopoulos, H. Kallbacher, A.M. Papini, T. Tselios, K. Chatzantoni, T. Biagioli, F. Lolli, S. Deraos, P. Papathanassopoulos, T. Mavromoustakos, A. Mouzaki. Design and synthesis of a novel potent myelin basic epitope 87-99 cyclic analogue: Enhanced stability and biological properties of mimics render them a potentially new class of immunomodulators. J. Med. Chem. 48,1470-1480 (2005).

A. Kapou, T. Mavromoustakos, S. Nikolaropoulos, Effects of Steroidal Carriers of Alkylating Agents On DPPC Membrane Bilayers. Thermochimica Acta, 429, 53-56 (2005).
E.T. Kefalas, P. Panagiotidis, C.P. Raptopoulou, A. Terzis, T. Mavromoustakos, A. Salifoglou. Mononuclear Titanium(IV)-Citrate Complexes from Aqueous Solutions:pH-Specific Synthesis and Structural and Spectroscopic Studies in Relevance to Aqueous Titanium(IV)-Citrate Speciation. Inorg. Chem.  44, 2596-2605 (2005).

N.P. Benetis, I. Kyrikou, T. Mavromoustakos, M. Zervou. Static 31P CP NMR Multilamellar Bilayer Broadlines in the Absence and presence of the Bioactive Dipeptide beta-Ala-Tyr or Glu" Chemical Physics 314(1-3) 57-72 (2005).

A. Kapou, M.A. Fousteris, S.S. Nikolaropoulos, M. Zervou, S.G. Gardadolnik, P. Zoumpoulakis, I. Kyrikou, T. Mavromoustakos. 2D NMR and conformational analysis of a prototype anti-tumor steroidal ester. J. Pharmaceut. Biomed. Anal. 38, 428-434 (2005). 

P. Petrakis, I. Touris, M. Liouni, M. Zervou, C.R. Kokkinofta, R. Theocharis, T. Mavromoustakos. Authenticity of the traditional Cyprus spirit “Zivania” on the basis of 1H NMR Spectroscopy Diagnostic Parameters and Statistical Analysis. J. Agric. Food Chem. 53(13), 5293-5303 (2005).

E.T. Kefalas, M. Dakanali, P. Panagiotidis, C.P. Raptopoulou, A. Terzis, T. Mavromoustakos, I. Kyrikou, N. Karligiano, A. Bino, A. Salifoglou, pH-Specific Aqueous Synthetic Chemistry in the Binary Cadmium(II)-Citrate System. Gaining Insight into Cadmium(II)-Citrate Speciation with Relevance to Cadmium Toxicity. Inorg. Chem.  44(13) 4818-4828 (2005).

C. Souli, N. Avlonitis, T. Calogeropoulou, G. Maksay, T. Biro, A. Tsotinis, G. Maksay, T. Biro, A. Politi, T. Mavromoustakos, A. Makriyannis, H. Reis, M. Papadopoulos, Novel 17β-substituted conformationally constrained neurosteroids that modulate GABAA receptors.  J. Med. Chem. 48(16) 5203-5214 (2005).

M.A.C. Preto, A.M. Hermani, L.S. Maia, T. Mavromoustakos, M. J. Ramos. Molecular Dynamics Simulations of Angiotensin II in Aqueous and Dimethylsulfoxide Environments, J. Physical Chem.Β 109, 17743-17751 (2005).

P. Zoumpoulakis, A. Politi, S.G. Grdadolnik, J. Matsoukas, T. Mavromoustakos, Structure elucidation and conformational study of V8. A novel synthetic non peptide AT1 antagonistJ. Pharmaceut. Biomed. Anal.. 40(5) 1097-1104 (2006). 

D. Kovala-Demertzi, V. N. Dokorou, J. P. Jasinsky, A. Opolski, J. Wiecek, M. Zervou, M. A. Demertzis. Organotin flufenamates, Synthesis, characterization and antiproliferative activity of organotin flufenamates, J. Organ. Chem.  690, 1800-1806 (2005).

P. Zoumpoulakis, T. Mavromoustakos, Seeking the Active Site of the AT1 Receptor for Computational Docking Studies. Drug Design Reviews Online, 2, 537-545, (2005).









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