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Browsing by Subject "IC 50"

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    • Article  

      A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs 

      Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Igglessi-Markopoulou, O.; Kollias, G. (2010)
      AnovelQSARworkflowis constructed that combines MLR with LS-SVM classification techniques for the identification of quinazolinone analogs as "active" or "nonactive" CXCR3 antagonists. The accuracy of the LS-SVM classification ...

    • Article  

      Design, synthesis and biological evaluation of benzo[e][1,2,4]triazin-7(1H) -one and [1,2,4]-triazino[5,6,1-jk]carbazol-6-one derivatives as dual inhibitors of beta-amyloid aggregation and acetyl/butyryl cholinesterase 

      Catto, M.; Berezin, Andrey A.; Lo Re, D.; Loizou, G.; Demetriades, Marina; De Stradis, A.; Campagna, F.; Koutentis, Panayiotis Andreas; Carotti, A. (2012)
      Alzheimer's disease (AD) onset and progression are associated with the dysregulation of multiple and complex physiological processes and a successful therapeutic approach should therefore address more than one target. Two ...

    • Article  

      Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: Proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity 

      Oppedisano, F.; Catto, M.; Koutentis, Panayiotis Andreas; Nicolotti, O.; Pochini, L.; Koyioni, Maria G.; Introcaso, A.; Michaelidou, Sophia S.; Carotti, A.; Indiveri, C. (2012)
      The ASCT2 transport system catalyses a sodium-dependent antiport of glutamine and other neutral amino acids which is involved in amino acid metabolism. A library of 1,2,3-dithiazoles was designed, synthesized and evaluated ...

    • Article  

      Induction of caspase-independent programmed cell death by vitamin E natural homologs and synthetic derivatives. 

      Constantinou, Constantina; Hyatt, John Anthony; Vraka, Panayiota S.; Papas, Andreas M.; Papas, Konstantinos A.; Neophytou, Christiana M.; Hadjivassiliou, V.; Constantinou, Andreas I. (2009)
      Current observations in the literature suggest that vitamin E may be a suitable candidate for cancer chemotherapy. To investigate this further, we examined the ability of the vitamin E natural homologs [alpha-, beta-, ...

    • Article  

      Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined 

      Bischler, N.; Hayes, Joseph M.; Skamnaki, Vicky T.; Archontis, Georgios Z.; Lamprakis, Christos; Sarrou, Josephine; Skaltsounis, Alexios Leandros; Zographos, Spyros E.; Oikonomakos, Nikos G. (2011)
      With an aim toward glycogenolysis control in Type 2 diabetes, we have investigated via kinetic experiments and computation the potential of indirubin (IC 50 > 50 μM), indirubin-3'-oxime (IC 50 = 144 nM), KT5720 (K i = 18.4 ...

    • Article  

      Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures 

      Gorham, R. D.; Forest, D. L.; Tamamis, Phanourios; López de Victoria, A.; Kraszni, M.; Kieslich, C. A.; Banna, C. D.; Bellows-Peterson, M. L.; Larive, C. K.; Floudas, C. A.; Archontis, Georgios Z.; Johnson, L. V.; Morikis, D. (2013)
      We have used a novel human retinal pigmented epithelial (RPE) cell-based model that mimics drusen biogenesis and the pathobiology of age-related macular degeneration to evaluate the efficacy of newly designed peptide ...

    • Article  

      A novel QSAR model for evaluating and predicting the inhibition activity of dipeptidyl aspartyl fluoromethylketones 

      Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2006)
      A linear quantitative structure activity relationship model is obtained using Multiple Linear Regression (MLR) analysis as applied to a series of 49 dipeptidyl aspartyl fluoromethylketone derivatives with inhibitory activity ...

    • Article  

      Predictive QSAR workflow for the in silico identification and screening of novel HDAC inhibitors 

      Melagraki, G.; Afantitis, Antreas; Sarimveis, H.; Koutentis, Panayiotis Andreas; Kollias, G.; Igglessi-Markopoulou, O. (2009)
      A linear Quantitative Structure-Activity Relationship (QSAR) is developed in this work for modeling and predicting HDAC inhibition by 5-pyridin-2-yl- thiophene-2-hydroxamic acids. In particular, a five-variable model is ...

    • Article  

      Study on single crystal structure of the antimony(III) bromide complex with 3-methyl-2-mercaptobenzothiazole and biological activity of some antimony(III) bromide complexes with thioamides 

      Ozturk, I. I.; Metsios, A. K.; Filimonova-Orlova, S.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Karkabounas, Spyridon Ch; Milaeva, E. R.; Hadjiliadis, Nick (2012)
      Crystals of the [SbBr3(MMBZT)2] (1) complex (MMBZT = N-methyl-2- mercaptobenzothiazole) were grown from acetonitrile/methanol of the filtrate derived from the reaction between 3-methyl-2-mercaptobenzo thiazole (MMBZT) in ...

    • Article  

      Synthesis, characterization and biological studies of new antimony(III) halide complexes with ω-thiocaprolactam 

      Ozturk, I. I.; Banti, Christina N.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Kourkoumelis, Nikolaos; Charalabopoulos, Konstantinos A.; Hadjikakou, Sotiris K. (2012)
      Three new antimony(III) halide complexes (SbX 3, X = Cl, Br and I) with the heterocyclic thione ω-thiocaprolactam (1-azacycloheptane-2- thione, (Hthcl)) of formulae {[SbCl 2(μ 2-Cl)(Hthcl) 2] n} (1), {[(SbBr 2(μ 2-Br)(Hthcl) ...

    • Article  

      Water solubility, antioxidant activity and cytochrome C binding of four families of exohedral adducts of C60 and C70 

      Witte, P.; Beuerle, F.; Hartnagel, U.; Lebovitz, R.; Savouchkina, A.; Sali, S.; Guldi, D.; Chronakis, Nikos; Hirsch, A. (2007)
      Over the past decade, surface-modified, water soluble fullerenes have been shown by many different investigators to exhibit strong antioxidant activity against reactive oxygen species (ROS) in vitro and to protect cells ...

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