Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Journal of Inorganic Biochemistry called Heteroleptic NiII complexes: Synthesis, structural characterization, computational studies and amoebicidal activity evaluation, Author is Hernandez-Ayala, Luis Felipe; Toledano-Magana, Yanis; Ortiz-Frade, Luis; Flores-Alamo, Marcos; Galindo-Murillo, Rodrigo; Reina, Miguel; Garcia-Ramos, Juan Carlos; Ruiz-Azuara, Lena, which mentions a compound: 1762-34-1, SMILESS is CC1=CN=C(C=C1)C1=NC=C(C)C=C1, Molecular C12H12N2, Electric Literature of C12H12N2.
In this work, we present the synthesis, characterization, electrochem. studies, DFT calculations, and in vitro amoebicidal effect of seven new heteroleptic NiII coordination compounds The crystal structures of [H2(pdto)](NO3)2 and [Ni(pdto)(NO3)]PF6 are presented, pdto = 2,2′-[1,2-ethanediylbis-(sulfanediyl-2,1-ethanediyl)]dipyridine. The rest of the compounds have general formulas: [Ni(pdto)(N-N)](PF6) where N-N = 2,2′-bipyridine (bpy), 4,4′-dimethyl-2,2′-bipyridine (44dmbpy), 5,5′-dimethyl-2,2′-bipyridine (55dmbpy), 1,10-phenanthroline (phen), 4,7-dimethyl-1,10-phenanthroline (47dmphen) and 5,6-dimethyl-1,10-phenanthroline (56dmphen). The size of N-N ligand and its substituents modulate the compound electronic features and influence their antiproliferative efficiency against Entamoeba histolytica, 56dmphen derivative, shows the biggest molar volume and presents a powerful amoebicidal activity (IC50 = 1.2μM), being seven times more effective than the first-line drug for human amoebiasis metronidazole. Also, increases the reactive oxygen species concentration within the trophozoites. This could be the trigger of the E. histolytica growth inhibition. The antiparasitic effect is described using NiII electron d., molar volume, estimated by DFT, as well as the exptl. redox potential and diffusion coefficients In general, amoebicidal efficiency is directly proportional to the increment of the molar volume and decreases when the redox potential becomes more pos.
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