Computer-generated high-valent iron-oxo and manganese-oxo species with polyoxometalate ligands: How do they compare with the iron-oxo active species of heme enzymes?

被引：58
|
作者：
de Visser, SP
Kumar, D
Neumann, R [1 ]
Shaik, S
机构：
[1] Weizmann Inst Sci, Dept Organ Chem, IL-76100 Rehovot, Israel
[2] Hebrew Univ Jerusalem, Dept Organ Chem, IL-91904 Jerusalem, Israel
[3] Hebrew Univ Jerusalem, LIse Meitnew Minerva Ctr Computat Quantum Chem, IL-91904 Jerusalem, Israel
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2004年 / 43卷 / 42期
关键词：
cytochrome P450; density functional calculations; metalloporphyrins; oxidation; polyoxometalates;
D O I：
10.1002/anie.200453867
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The structure and reactivity of high-valent FeVO and Mn VIO oxidation catalysts containing a polyoxometalate [PW 11O39]7- lacunary ligand (2) have been investigated by a computational study. Calculations have demonstrated there is an intriguing analogy between these species and the active species (1) of the enzyme cytochrome P450 (see scheme).
引用
收藏
页码：5661 / 5665
页数：5
相关论文
共 50 条
  • [1] High-valent iron-oxo and manganese-oxo corrolazines and their role in biomimetic oxidations
    Goldberg, David P.
    Prokop, Katharine A.
    McGown, Amanda J.
    Leeladee, Pannee
    Cho, Kevin
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239
  • [2] High-valent nonheme iron-oxo species in biomimetic oxidations
    Shan, Xiaopeng
    Que, Lawrence, Jr.
    JOURNAL OF INORGANIC BIOCHEMISTRY, 2006, 100 (04) : 421 - 433
  • [3] Formation of High-Valent Iron-Oxo Species in Superoxide Reductase
    Niviere, V.
    Bonnot, F.
    Tremey, E.
    Molle, T.
    Rat, S.
    Desbois, A.
    JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2014, 19 : S258 - S258
  • [4] The High-Valent Iron-Oxo Reactivity Landscape
    Que, L.
    JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2014, 19 : S174 - S174
  • [5] High-valent iron-oxo species in biomimetic nonheme iron-catalyzed oxidations
    Que, L
    Chen, K
    Costas, M
    Ho, RYN
    Jensen, MP
    Rohde, JU
    Torelli, S
    Zheng, H
    JOURNAL OF INORGANIC BIOCHEMISTRY, 2001, 86 (01) : 88 - 88
  • [6] EVIDENCE FOR HIGH-VALENT IRON-OXO SPECIES ACTIVE IN THE DNA BREAKS MEDIATED BY IRON-BLEOMYCIN
    PRATVIEL, G
    BERNADOU, J
    MEUNIER, B
    BIOCHEMICAL PHARMACOLOGY, 1989, 38 (01) : 133 - 140
  • [7] Significant role of high-valent iron-oxo species in the degradation and detoxification of indomethacine
    Chen, Han
    Lin, Tao
    Chen, Wei
    Xu, Hang
    Tao, Hui
    CHEMOSPHERE, 2020, 251
  • [8] Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: A tale of many states
    Shaik, Sason
    Hirao, Hajime
    Kumar, Devesh
    ACCOUNTS OF CHEMICAL RESEARCH, 2007, 40 (07) : 532 - 542
  • [9] Amazing nonheme high-valent iron-oxo landscape
    Que, Lawrence
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [10] The Amazing Nonheme High-Valent Iron-Oxo Landscape
    Que, Lawrence, Jr.
    JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2017, 22 : S265 - S265
12345