Journal
CHEMISTRYSELECT
Volume 6, Issue 9, Pages 2360-2365Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/slct.202004390
Keywords
1; 4-Dihydropyridine; Calcium channel blocker; Ferrite; Hantzsch reaction; TRPV6
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Funding
- Isfahan University of Technology
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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.
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.
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