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- W1966762212 abstract "The interaction of Zn(II) cation with the anticonvulsant phenytoin (PHT) was investigated using semi-empirical AM1 molecular orbital calculations. All possible modes of PHT–Zn(II) complexation were systematically studied by aligning Zn(II) along the three amide faces of PHT’s imidazoline-2,4-dione ring. The AM1 calculations indicated that Zn(II) bridges two PHT molecules; six Zn(PHT)22+ complexes were evaluated. In more stable structures, Zn(II) coordinates with two PHT through amide oxygens. These structures were hydrated, further optimized, and evaluated." @default.
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- W1966762212 date "1999-11-01" @default.
- W1966762212 modified "2023-10-12" @default.
- W1966762212 title "Interaction of anticonvulsant drugs with metals: a semi-empirical molecular orbital study of phenytoin–zinc(II) complexation" @default.
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- W1966762212 doi "https://doi.org/10.1016/s0166-1280(98)00601-0" @default.
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