217 KB16 KB200220242006Stojan, Jureštevilka:1letnik:11str. 60-65ISSN:1318-2129COBISSID:21479129URN:URN:NBN:SI:doc-LOXL70AYslSlovensko društvo za medicinsko informatikoInformatica Medica Slovenicabiokemijaencimska kinetikamolekularna biologijamolekularno modeliranjeEncimska kinetika in molekularno modeliranje se dopolnjujeta pri proučevanju reakcijskih mehanizmov| Enzyme kinetics and molecular modeling complement each other at study of reaction mechanisms|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 substrateKinetika 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 hidroliti~ne 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 substrataTEXTznanstveno časopisjejournalsSlovenian National E-content AggregatorNational and University Library of SloveniaSlovensko društvo za medicinsko informatiko