Browsing by Subject "protein binding"

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

Crystallographic and computational studies on 4-phenyl-N-(β-D- glucopyranosyl)-1H-1,2, 3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with α-D-glucose, N-acetyl-β-D- glucopyranosylamine and N-benzoyl-N′-β-D-glucopyranosyl urea binding

Alexacou, Kyra Melinda; Hayes, Joseph M.; Tiraidis, Costas; Zographos, Spyros E.; Leonidas, Demetres D.; Chrysina, Evangelia D.; Archontis, Georgios Z.; Oikonomakos, Nikos G.; Paul, J. V.; Varghese, B.; Loganathan, D. (2008)

4-Phenyl-N-(β-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide (glucosyltriazolylacetamide) has been studied in kinetic and crystallographic experiments with glycogen phosphorylase b (GPb), in an effort to utilize its ...

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

Free energy simulations come of age: Protein-ligand recognition

Simonson, T.; Archontis, Georgios Z.; Karplus, M. (2002)

In recent years, molecular dynamics simulations of biomolecular free energy differences have benefited from significant methodological advances and increased computer power. Applications to molecular recognition provide ...

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

Molecular Dynamics in Drug Design: New Generations of Compstatin Analogs

Tamamis, Phanourios; López de Victoria, A.; Gorham, R. D.; Bellows-Peterson, M. L.; Pierou, P.; Floudas, C. A.; Morikis, D.; Archontis, Georgios Z. (2012)

We report the computational and rational design of new generations of potential peptide-based inhibitors of the complement protein C3 from the compstatin family. The binding efficacy of the peptides is tested by extensive ...

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

Novel spatiotemporal glycome changes in the murine placenta during placentation based on BS-I lectin binding patterns

Charalambous, Christina; Drakou, Katerina; Nicolaou, Stavros; Georgiades, Pantelis (2013)

Although spatiotemporal changes of the glycome (full set of glycans, otherwise known as saccharides or carbohydrates) during placenta formation (placentation) are functionally and clinically important, they are poorly ...

Article

Protein complexation with acrylic polyampholytes

Patrickios, Costas S.; Hertler, Walter R.; Hatton, T. Alan (1994)

The interaction of dilute mixtures of proteins and ABC triblock methacrylic polyampholytes at different values of pH was investigated turbidimetrically. The onset of interaction was manifested by large changes in turbidity ...

Article

Proton binding to proteins: A free-energy component analysis using a dielectric continuum model

Archontis, Georgios Z.; Simonson, T. (2005)

Proton binding plays a critical role in protein structure and function. We report pKa calculations for three aspartates in two proteins, using a linear response approach, as well as a "standard" Poisson-Boltzmann approach. ...

Article

The role of the cross-link His-Tyr in the functional properties of the binuclear center in cytochrome c oxidase

Pinakoulaki, Eftychia; Pfitzner, U.; Ludwig, B.; Varotsis, Constantinos (2002)

Resonance Raman and Fourier transform infrared spectroscopies have been used to study the aa3-type cytochrome c oxidase and the Y280H mutant from Paracoccus denitrificans. The stability of the binuclear center in the absence ...