Browsing by Subject "IC 50"

Now showing items 1-11 of 11

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 ...

Browsing by Subject "IC 50"

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

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 ﻿

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 ﻿

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

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 ﻿

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

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

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

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 ﻿

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

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

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

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

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

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

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

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

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

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

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

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

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