• Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study 

      Mettou A., Papaneophytou C., Melagraki G., Maranti A., Liepouri F., Alexiou P., Papakyriakou A., Couladouros E., Eliopoulos E., Afantitis A., Kontopidis G. (2018)
      The aim of this study is to improve the aqueous solubility of a group of compounds without interfering with their bioassay as well as to create a relevant prediction model. A series of 55 potential small-molecule inhibitors ...
    • Discovery of N-Phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors 

      Wang, S.; Midgley, C. A.; Scaërou, F.; Grabarek, J. B.; Griffiths, G.; Jackson, W.; Kontopidis, G.; McClue, S. J.; McInnes, C.; Meades, C.; Mezna, M.; Plater, A.; Stuart, I.; Thomas, M. P.; Wood, G.; Clarke, R. G.; Blake, D. G.; Zheleva, D. I.; Lane, D. P.; Jackson, R. C.; Glover, D. M.; Fischer, P. M. (2010)
      Through cell-based screening of our kinase-directed compound collection, we discovered that a subset of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amines were potent cytotoxic agents against cancer cell lines, suppressed mitotic ...
    • Quantification of the Effects of Ionic Strength, Viscosity, and Hydrophobicity on Protein-Ligand Binding Affinity 

      Papaneophytou, C. P.; Grigoroudis, A. I.; McInnes, C.; Kontopidis, G. (2014)
      In order to quantify the interactions between molecules of biological interest, the determination of the dissociation constant (K-d) is essential. Estimation of the binding affinity in this way is routinely performed in ...