Browsing by Subject "structure activity relation"

Article

1,2,3-Dithiazoles-new reversible melanin synthesis inhibitors: A chemical genomics study

Charalambous, Anna; Koyioni, Maria; Antoniades, Ioanna; Pegeioti, Despoina; Eleftheriou, Iro; Michaelidou, Sophia S.; Amelichev, Stanislav A.; Konstantinova, L. S.; Rakitin, O. A.; Koutentis, Panayiotis Andreas; Skourides, Paris A. (2015)

A chemical genomic screen of an in-house library of small molecule heterocycles was carried out using Xenopus laevis embryos. This led to the identification of N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxyaniline ...

Article

The 1.76 Å resolution crystal structure of glycogen phosphorylase b complexed with glucose, and CP320626, a potential antidiabetic drug

Oikonomakos, Nikos G.; Zographos, Spyros E.; Skamnaki, Vicky T.; Archontis, Georgios Z. (2002)

CP320626, a potential antidiabetic drug, inhibits glycogen phosphorylase in synergism with glucose. To elucidate the structural basis of synergistic inhibition, we determined the structure of muscle glycogen phosphorylase ...

Article

Cancer chemopreventive activity of brassinin, a phytoalexin from cabbage

Mehta, R. G.; Liu, J.; Constantinou, Andreas I.; Thomas, C. F.; Hawthorne, M.; You, M.; Gerhäuser, C.; Pezzuto, J. M.; Moon, R. C.; Moriarty, R. M. (1995)

Brassinin [3-(S-methyldithiocarbamoyl aminomethyl indole], a phytoalexin first identified as a constituent of cabbage, was synthesized and evaluated for cancer chemopreventive activity. Dose-dependent inhibition of ...

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

The Dietary Anticancer Agent Ellagic Acid is a Potent Inhibitor of DNA Topoisomerases in Vitro

Constantinou, Andreas I.; Mehta, R.; Runyan, C.; Moon, R.; Stoner, G. D.; Rao, K. (1995)

Ellagic acid and 12 related agents have been tested for their ability to inhibit the activities of human DNA topoisomerase (topo) I and IL Using specific in vitro assays, we found ellagic acid and flavellagic acid to be ...

Article

Effect of angle strain in conjugated cycloaikenylidenes. Singlet- triplet splitting of cyclobutenylidene and its ground-state intramolecular rearrangements

Nicolaïdes, Andrew N.; Matsushita, Takashi; Tomioka, H. (1999)

The singlet and triplet states of cyclobutenylidene, cyclopenten-3- ylidene, cyclohexen,3-ylidene, and cyclohepten-3-ylidene and some of their isomers (cyclohexen-4-ylidene, cyclohepten-4-ylidene, and cyclohepten-5- ylidene) ...

Article

FAK transduces extracellular forces that orient the mitotic spindle and control tissue morphogenesis

Petridou, Nicoletta I.; Skourides, Paris A. (2014)

Spindle orientation is critical for proper morphogenesis of organs and tissues as well as for the maintenance of tissue morphology. Although significant progress has been made in understanding the mechanisms linking the ...

Article

Flavonoids as DNA topoisomerase antagonists and poisons: Structure-activity relationships

Constantinou, Andreas I.; Mehta, R.; Runyan, C.; Rao, K.; Vaughan, A.; Moon, R. (1995)

Selected flavonoids were tested for their ability to inhibit the catalytic activity of DNA topoisomerase (topo) I and II. Myricetin, quercetin, fisetin, and morin were found to inhibit both enzymes, while phloretin, ...

Article

High and low resolution theories of protein electron transfer

Skourtis, Spiros S.; Beratan, David N. (1997)

Protein-mediated electronic interactions facilitate biological electron transfer (ET) reactions. Theory and experiment are being used extensively to establish atomic-scale descriptions of these reactions. The last 20 years ...

Article

New compstatin peptides containing n-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics

Gorham, R. D.; Forest, D. L.; Khoury, G. A.; Smadbeck, J.; Beecher, C. N.; Healy, E. D.; Tamamis, Phanourios; Archontis, Georgios Z.; Larive, C. K.; Floudas, C. A.; Radeke, M. J.; Johnson, L. V.; Morikis, D. (2015)

Compstatin peptides are complement inhibitors that bind and inhibit cleavage of complement C3. Peptide binding is enhanced by hydrophobic interactions

Article

The protein effect in the structure of two ferryl-oxo intermediates at the same oxidation level in the heme copper binuclear center of cytochrome c oxidase

Pinakoulaki, Eftychia; Daskalakis, Vangelis; Ohta, T.; Richter, O. -M H.; Budiman, K.; Kitagawa, T.; Ludwig, B.; Varotsis, Constantinos (2013)

Identification of the intermediates and determination of their structures in the reduction of dioxygen to water by cytochrome c oxidase (CcO) are particularly important to understanding both O2 activation and proton pumping ...

Article

Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-β-d-glucopyranosylamines

Parmenopoulou, Vanessa; Kantsadi, Anastassia L.; Tsirkone, Vicky G.; Chatzileontiadou, Demetra S. M.; Manta, Stella; Zographos, Spyros E.; Molfeta, Christina; Archontis, Georgios Z.; Agius, Loranne; Hayes, Joseph M.; Leonidas, Demetres D.; Komiotis, Dimitris (2014)

Glycogen phosphorylase (GP) is a validated target for the development of new type 2 diabetes treatments. Exploiting the Zinc docking database, we report the in silico screening of 1888 N-acyl-β-d-glucopyranosylamines ...

Article

Structure-activity relationships of brassinin in preventing the development of carcinogen-induced mammary lesions in organ culture

Mehta, R. G.; Liu, J.; Constantinou, Andreas I.; Hawthorne, M.; Pezzuto, J. M.; Moon, R. C.; Moriarty, R. M. (1994)

Brassinin, a pkytoalexin, is found in Chinese cabbage. Previously, we showed that brassinin significantly inhibited dimethylbenz(a)anthracene (DMBA)-induced mammary lesions in organ culture. Moreover, it was an effective ...

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 DNA adsorption studies of ampholytic model conetworks based on cross-linked star copolymers

Georgiou, Theoni K.; Patrickios, Costas S. (2008)

Five model conetworks based on cross-linked star ampholytic copolymers were synthesized by group transfer polymerization. The ampholytic copolymers were based on two hydrophilic monomers: the positively ionizable ...