Activating Effect of 3-Benzylidene Oxindoles on AMPK: From Computer Simulation to High-Content Screening

AMP-activated protein kinase (AMPK) is currently the subject of intensive study and active discussions. AMPK performs its functions both at the cellular level, providing the switch between energy-consuming and energy-producing processes, and at the whole body level, particularly, regulating certain aspects of higher nervous activity and behavior. Control of such a ‘main switch’ compensates dysfunctions and associated diseases. In the present paper, we studied the binding of 3-benzylidene oxindoles to the kinase domain of the AMPK α-subunit, which is thought to prevent its interaction with the autoinhibitory domain and thus result in the AMPK activation. For this purpose, we developed the cellular test system based on the AMPKAR plasmid, which implements the FRET effect, synthesized a number of 3-benzylidene oxindole compounds and simulated their binding to various sites of the kinase domain. The most probable binding site for the studied compounds was established by the correlation of calculated and experimental data. The obtained results allow to analyze various classes of AMPK activators using virtual and high-content screening.     

Features of Polymerization of Methyl Methacrylate using a Photocatalyst—the Complex Oxide RbTe1.5W0.5O6

Journal of Inorganic and Organometallic Polymers and Materials - Radical polymerization of methyl methacrylate in an aqueous emulsion was carried out using the complex oxide RbTe1.5W0.5O6 as a...     

Synthesis of hafnium carbide by mechanochemistry and irradiation

The interaction in the Hf–C system during mechanical activation performed in a high-energy planetary ball mill and the irradiation-assisted fabrication of hafnium carbide from an Hf/C mechanocomposite are studied by synchrotron X-ray diffraction (at a quantum energy of 33.7 keV) and high-resolution scanning electron microscopy. The mechanochemical interaction results in the formation of an Hf/C mechanocomposite at the first stage and mechanical activation for ≥8 min forms hafnium carbide. The irradiation of the Hf/C mechanocomposite with a high-energy electron beam (~150 W/mm²) causes melting and spreading of hafnium over the carbon particle surface and the crystallization of hafnium carbide.     

Structural transformations upon the mechanochemical interaction between solid and liquid metals

The process of mechanochemical interaction of solid and liquid metals is examined. It is shown that the mechanochemical formation of solid solutions in all the cases occurs through the stages of the formation of stable intermetallic compounds.