CATALYTIC STRATEGIES OF CHOLINESTERASES & TRYPSIN MOLECULAR DYNAMICS STUDIES
CATALYTIC STRATEGIES OF CHOLINESTERASES & TRYPSIN MOLECULAR DYNAMICS STUDIES
批准号:
6221100
负责人:
ILDIKO M KOVACH
金额:
$0.13万
依托单位国家:
美国
项目类别:
财政年份:
1999
资助国家:
美国
项目状态:
已结题
起止时间:
1999-08-01 至 2000-07-31
中文摘要
在这个更新期,我们将使用量子力学方法,
分子动力学模拟和自由能微扰方法
继续探索结构与功能之间的关系
两个普遍存在的代谢血红素的蛋白质家族,过氧化物酶和
细胞色素P450s。将进行的具体研究包括
(1)继续描述转型中的步骤
这些酶的催化活性形式(2)继续
底物酶复合体预测产物的研究
这两种血红素蛋白对特定底物的选择性
(3)阐明结合水的作用、蛋白质结构和
调节酶P450同工酶的特异点突变
函数;(4)结合相对自由能的计算
P450cam抑制剂及(5)底物表征
两种辣根过氧化物酶的结合部位
英文摘要
In this renewal period, we shall use quantum mechanical methods,
molecular dynamics simulations and free energy perturbation methods to
continue to probe the relationship between structure and function of
two families of ubiquitous metabolizing heme proteins, peroxidases and
the cytochrome P450s. The specific studies that will be made include
(1) Continued characterization of the steps in the transformation of
these enzymes to their catallytically active form (2) Continued
Studies of Substrate enzyme complexes for prediction of product
selectivity by specific substrates by these two types heme proteins
(3) Elucidation of role of bound water, protein architecture and
specific point mutations of P450 isozymes in modulating enzyme
function; (4) Calculations of the relative free energies of binding
inhibitors to P450cam and (5) Characterization of the substrate
binding sites of two horseradish peroxidases
期刊论文(0)
专著(0)
科研奖励(0)
会议论文
Proton Inventory for Reactions in Blood Clotting
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批准号:6503163
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项目类别:
-
资助金额:$15.31万
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财政年份:2002
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负责人:ILDIKO M KOVACH
-
依托单位:
Probing Proton Bridges in Catalysis by Thrombin
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批准号:6952050
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项目类别:
-
资助金额:$23.37万
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财政年份:2001
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负责人:ILDIKO M KOVACH
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依托单位:
4 MONTH BIOMED GRANT LETTER WAS SENT TO D DEERFIELD
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批准号:6319804
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项目类别:
-
资助金额:$0.13万
-
财政年份:1999
-
负责人:ILDIKO M KOVACH
-
依托单位:--
CATALYTIC STRATEGIES OF CHOLINESTERASES & TRYPSIN: MOLECULAR DYNAMICS STUDIES
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批准号:6295168
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项目类别:
-
资助金额:$1.19万
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财政年份:1998
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负责人:ILDIKO M KOVACH
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依托单位:
CATALYTIC STRATEGIES OF CHOLINESTERASES & TRYPSIN: MOLECULAR DYNAMICS STUDIES
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批准号:6122478
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项目类别:
-
资助金额:$0.0万
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财政年份:1998
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负责人:ILDIKO M KOVACH
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依托单位:
CATALYTIC STRATEGIES OF CHOLINESTERASES & TRYPSIN: MOLECULAR DYNAMICS STUDIES
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批准号:6282513
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项目类别:
-
资助金额:$1.19万
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财政年份:1998
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负责人:ILDIKO M KOVACH
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依托单位:
CHARMM CALCULATIONS OF ACHE INTERACTIONS WITH EF
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批准号:2049329
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项目类别:
-
资助金额:$3.43万
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财政年份:1995
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负责人:ILDIKO M KOVACH
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依托单位:
海外基金