Program DYNAFIT for the analysis of enzyme kinetic data: Application to HIV proteinase
Program DYNAFIT for the analysis of enzyme kinetic data: Application to HIV proteinase
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DOI：
10.1006/abio.1996.0238
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发表时间：
1996-06-01
影响因子：
2.9
通讯作者：
Kuzmic, P
中科院分区：
文献类型：
--
作者：
Kuzmic, P
开发了一个代号为dynafit的计算机程序，用于将酶反应的初始速度或时间过程拟合到由一组化学方程象征性地表示的任意分子机制。应用7个数值测试和5个图形测试来判断拟合优度。在四个测试实例中使用了关于抑制来自HIV的解离二聚体蛋白酶的实验数据。分析了一组初始速度，以确定紧密结合的抑制剂是否可以与HIV蛋白酶单体结合。分析了三组不同的过程曲线：(1)确定不可逆抑制剂的动力学性质；(2)研究酶二聚体的解离和变性机理；(3)研究瞬时抑制剂的抑制机理。该程序可通过匿名ftp通过uwmml.PharmPharmy.witc.edu获得，也可通过http://uwmml.pharmacy.wisc.edu.在万维网上获得(C)1996年学术出版社。
A computer program with the code name DYNAFIT was developed for fitting either the initial velocities or the time course of enzyme reactions to an arbitrary molecular mechanism represented symbolically by a set of chemical equations. Seven numerical tests and five graphical tests are applied to judge the goodness of fit. Experimental data on the inhibition of the dissociative dimeric proteinase from HIV were used in four test examples. A set of initial velocities was analyzed to see if a tight-binding inhibitor could bind to the HIV proteinase monomer. Three different sets of progress curves were analyzed (i) to determine the kinetic properties of an irreversible inhibitor, (ii) to investigate the dissociation and denaturation mechanism for the protease dimer, and (iii) to investigate the inhibition mechanism for a transient inhibitor. The program is available by anonymous ftp via uwmml.pharmacy.wisc.edu and on the World Wide Web via http://uwmml.pharmacy.wisc.edu. (C) 1996 Academic Press, Inc.