Author/Editor		Stojan, Jure
Title		Analysis of progress curves in an acetylcholinesterase reaction: a numerical integration treatment
Type		članek
Source		J Chem Inf Comput Sci
Vol. and No.		Letnik 37
Publication year		1997
Volume		str. 1025-7
Language		eng
Abstract		During the course of enzyme reactions in which a complete conversion of the reactants into the products occurs, the assumptions for the derivation of steady-state rate equations become violated. Therefore, the integrated form of these equations is not appropriate for the analysis of progress curves which describe such reactions. Since the solution of the system of ordinary differential equations without steady-state assumptions is impossible, the analysis is proposed which is based on a numerical integration method. The parameters of numerically solved differential rate equations for the reaction mechanism of acetylcholinesterase (acetylcholine acetylhydrolase, EC 3.1.1.7, AChE) at low substrate concentrations are fitted to the experimental data by a nonlinear regression computer program. For the numerical solutions of stiff systems of ordinary differential equations a semi-implicit midpoint rule extrapolation method is used.
Descriptors		ACETYLCHOLINESTERASE KINETICS NUMERICAL ANALYSIS, COMPUTER-ASSISTED