Author/Editor		Stojan, Jure
Title		Encimska kinetika in molekularno modeliranje se dopolnjujeta pri proučevanju reakcijskih mehanizmov
Translated title		Enzyme kinetics and molecular modeling complement each other at study of reaction mechanisms
Type		članek
Source		Inform Med Slov Print Ed
Vol. and No.		Letnik 11, št. 1
Publication year		2006
Volume		str. 60-5
Language		slo
Abstract		The kinetics of cholinesterases is complex and show several deviations from classical Micaelis-Menten hyperbola. Therefore, we tried to correlate the results of kinetic measurements with available crystallographic data and suggest an appropriate reaction scheme for the hydrolysis of acetylthiocholine - an artificial chromogenic substrate. By means of molecular modeling we anticipated important reaction intermediates and suggested steric hindrance of deacetylation as a basis for the inhibition by the excess of substrate.
Summary		Kinetika holinesteraz je zelo zapletena in kaže več odstopanj od klasične MichaelisMentenove hiperbole. Zato smo želeh uskladiti rezultate kinetičnih meritev z znanimi kristalografskimi podatki in tako predlagati reakcijsko shemo hidrolitične pretvorbe acetiltiohohna - umetnega kromogenega substrata. S pomočjo molekularnega modeliranja smo prikazali pomembne vmesne produkte v reakcijskem mehanizmu in s steričnim oviranjem deacetilacije razložili inhibicijo holinesteraze s prebitkom substrata.
Descriptors		KINETICS CHOLINESTERASES ACETYLCHOLINE MODELS, MOLECULAR