PDK1, an attractive cancer target that downstreams 23 other kinases towards cell growth, survival and metabolism has gaining attention due to allosteric effect of ligands bound to it. Generally, the drug design strategy using pharmacophores is either a single protein structure or ensemble or ligand-based. Apart from these methods, yet another new approach of protein-protein docking with state of art computational tool like Schrodinger Suite to generate pharmacophores based on the interacting partners of the protein is proposed in this work.
View Article and Find Full Text PDFThe interaction between antihistaminic drug oxatomide () and calf-thymus DNA (CT-DNA) has been investigated in a physiological buffer (pH 7.4) using UV-Vis, fluorescence, H NMR and circular dichroism spectral techniques coupled with viscosity measurements, KI quenching, voltammetry and molecular modeling studies. binds with CT-DNA in a concentration-dependent manner.
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