link

https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.20...

Jafari‐Chermahini, M.T. and Tavakol, H., 2021. One‐Pot Synthesis of Hantzsch 1, 4‐Dihydropyridines by a Series of Iron Oxide Nanoparticles: Putative Synthetic TRPV6 Calcium Channel Blockers. ChemistrySelect, 6, 2360-2365.

Dr. Mohammad T. Jafari-Chermahini, Prof. Hossein Tavakol

Abstract

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 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 1H- and 13C-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.