One-Pot Synthesis of Hantzsch 1,4-Dihydropyridines by a Series of Iron Oxide Nanoparticles: Putative Synthetic TRPV6 Calcium Channel Blockers

摘要

Various spinel iron oxide nanoparticles (MFe2O4, M: Ca, Co, Cu, Fe, Hg, Mg, Mn, Ni, Sn and Zn) have been prepared using a single step coprecipitation method. Nanoparticles were charac- terized using XRD, FESEM, FT-IR and UV-Vis diffuse-reflectance spectroscopy. The catalytic activities of the synthesized nano- particles in Hantzsch reaction have been studied. HgFe2O4 NPs exhibits the highest catalytic activity than others. The structural properties of synthesized 1,4-dihydropyridine were character- ized by mass spectrometry, FT-IR and 1 H- and 13 C-NMR. Finally, the in silico molecular simulations for screening of blocking ability of synthesized 1,4-dihydropyridine against various TRPV6 proteins were performed. These studies revealed that examined 1,4-dihydropyridines are promising TRPV6 calcium channel blockers. As a result, molecular modeling confirmed that synthesized 1,4-DHPs are docked on the pore region of the examined TRPV6 channels.