速報
鉄化合物の構造予測と発ガン性
2015 年 13 巻 6 号 p. 317-318
詳細
2015 年 13 巻 6 号 p. 317-318
Some iron(III) complexes, including [Fe2(μ-O)(nta)2(H2O)2]2– and [Fe2(μ-O)(ida)2(H2O)4], are considered to be significant carcinogens to cause renal injuries from the result of previous animal experiments. On the other hand, similar iron(III) complex [Fe2(μ-O)(pac)2(H2O)2] is not considered to be a carcinogen. In order to clarify the differences in carcinogenicity, conformational analyses have been conducted for four dinuclear iron(III) complexes, [Fe2(μ-O)(nta)2(H2O)2]2–, [Fe2(μ-O)(edda)2(H2O)2], [Fe2(μ-O)(ida)2(H2O)4], and [Fe2(μ-O)(pac)2(H2O)2], where nitrilotriacetate [(nta)3–], ethylenediamine-N,N'-diacetate [(edda)2–], iminodiacetate [(ida)2–], and N-(2-pyridylmethyl)iminodiacetate [(pac)2–] are the chelating ligands (chelators). Based on the DFT computation, two-point interaction with hydrogen peroxide or α-helix was found to be possible for carcinogenic iron(III) complexes, [Fe2(μ-O)(nta)2(H2O)2]2– and [Fe2(μ-O)(ida)2(H2O)4], whereas the interaction was not found to be possible for non-carcinogenic iron(III) complex, [Fe2(μ-O)(pac)2(H2O)2].
