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Systematic study on the mechanism of aldehyde oxidation to carboxylic acid by cytochrome P450
Liu, Xiaojing; Wang, Yong; Han, Keli; Han KL(韩克利); Han KL(韩克利)
关键词P450 Compound i Aldehyde Hydroxylation
刊名JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
2007-09-01
DOI10.1007/s00775-007-0277-z
12期:7页:1073-1081
收录类别SCI
文章类型Article
部门归属11
项目归属1101
产权排名1;1
WOS标题词Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences
类目[WOS]Biochemistry & Molecular Biology ; Chemistry, Inorganic & Nuclear
研究领域[WOS]Biochemistry & Molecular Biology ; Chemistry
关键词[WOS]C-H HYDROXYLATION ; 2-STATE REBOUND MECHANISM ; COMPOUND-I ; ALKANE HYDROXYLATION ; MICROSOMAL CYTOCHROME-P450 ; THEORETICAL PERSPECTIVE ; HORSERADISH-PEROXIDASE ; ELECTRONIC-STRUCTURE ; REACTIVITY PATTERNS ; MODEL REACTIONS
英文摘要The mechanism of aldehyde to carboxylic acid conversion catalyzed by P450 enzymes via a series of reactions was studied systematically for the first time with density functional theory calculations. A two-state reactivity mechanism has been proposed, which can be adopted for many aldehyde oxidation reactions catalyzed by P450 enzymes. The mechanism involves initial hydrogen abstraction as the rate-limiting step and this is followed by steps of oxygen rebound without barriers owing to the quick recombination of the resultant radical species. Meanwhile, in an attempt to explore whether there exist some rules for the hydroxylation of aldehyde substrates by P450, the transition state barriers of the rate-limiting step for a series of aldehyde hydroxylation reactions have been compared. A predictive pattern of extended barrier/bond energy correlation for different hydroxylations of aldehyde substrates by P450 has been established, which was further confirmed to be a reliable reactivity scale by experimental results.
语种英语
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WOS记录号WOS:000249213800012
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被引频次:15[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/99129
专题中国科学院大连化学物理研究所
通讯作者Han KL(韩克利); Han KL(韩克利)
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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GB/T 7714
Liu, Xiaojing,Wang, Yong,Han, Keli,et al. Systematic study on the mechanism of aldehyde oxidation to carboxylic acid by cytochrome P450[J]. JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY,2007,12(7):1073-1081.
APA Liu, Xiaojing,Wang, Yong,Han, Keli,韩克利,&韩克利.(2007).Systematic study on the mechanism of aldehyde oxidation to carboxylic acid by cytochrome P450.JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY,12(7),1073-1081.
MLA Liu, Xiaojing,et al."Systematic study on the mechanism of aldehyde oxidation to carboxylic acid by cytochrome P450".JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY 12.7(2007):1073-1081.
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