Liver pyruvate kinase (PKL) has recently emerged as a new target for non-alcoholic fatty liver disease (NAFLD), and inhibitors of this enzyme could represent a new therapeutic option. However, this breakthrough is complicated by selectivity issues since pyruvate kinase exists in four different isoforms. In this work, we report that ellagic acid (EA) and its derivatives, present in numerous fruits and vegetables, can inhibit PKL potently and selectively. Several polyphenolic analogues of EA were synthesized and tested to identify the chemical features responsible for the desired activity. Molecular modelling studies suggested that this inhibition is related to the stabilization of the PKL inactive state. This unique inhibition mechanism could potentially herald the development of new therapeutics for NAFLD.

The inhibiting effect of benzimidazole derivate (DBI) on corrosion of carbon steel (CS) at temperature range of 303–333 K was investigated in hydrochloric acid by DC potential dynamic polarization and AC electrochemical impedance spectroscopy. It was found that this compound behaved as a mixed-type inhibitor with predominantly cathodic effect. The EIS results indicate that the inhibition efficiency increases with increasing the inhibitor concentration and the maximum inhibition (%) was obtained in the presence of 10⁻³ M of DBI. The adsorption of DBI on the carbon steel surface is described by the Langmuir adsorption isotherm and had a physical and chemical mechanism. The results found experimentally were corroborated by DFT-quantum chemical calculations and molecular dynamics simulations (MDS) methods.