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

Various spinel iron oxide nanoparticles (MFe(2)O4, M: Ca, Co, Cu, Fe, Hg, Mg, Mn, Ni, Sn and Zn) have been prepared using a single step coprecipitation method. Nanoparticles were characterized using XRD, FESEM, FT-IR and UV-Vis diffuse-reflectance spectroscopy. The catalytic activities of the synthesized nanoparticles in Hantzsch reaction have been studied. HgFe2O4 NPs exhibits the highest catalytic activity than others. The structural properties of synthesized 1,4-dihydropyridine were characterized by mass spectrometry, FT-IR and H-1- and C-13-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.

Automated summary

The study investigated the catalytic activity of various spinel iron oxide nanoparticles in Hantzsch reaction, with HgFe2O4 showing the highest activity. The structural properties of synthesized 1,4-dihydropyridine were characterized, and in silico molecular simulations confirmed their promising calcium channel blocking ability against various TRPV6 proteins.