Avtor/Urednik		Stojan, Jure
Naslov		Encimska kinetika in molekularno modeliranje se dopolnjujeta pri proučevanju reakcijskih mehanizmov
Prevedeni naslov		Enzyme kinetics and molecular modeling complement each other at study of reaction mechanisms
Tip		članek
Vir		Inform Med Slov Print Ed
Vol. in št.		Letnik 11, št. 1
Leto izdaje		2006
Obseg		str. 60-5
Jezik		slo
Abstrakt		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.
Izvleček		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.
Deskriptorji		KINETICS CHOLINESTERASES ACETYLCHOLINE MODELS, MOLECULAR