Ouantum Chemical Study on Catalytic Mechanism of Serine Proteases
- VernacularTitle:丝氨酸蛋白酶催化机制的量子化学研究(Ⅱ)
- Author:
Darong HUANG
- Publication Type:Journal Article
- Keywords:
Serine proteases;
Catalytic mechanism;
MNDO;
method
- From:
Journal of Kunming Medical University
1986;0(04):-
- CountryChina
- Language:Chinese
-
Abstract:
Using the semiempirical MNDO method,several systems simulating the active site of serine proteases have been studied.The stabilization energy was found depending strongly on the nucleophilicity of the attacking group.the decrease of the activation energy has been esti- mated at 9 kca/mole.It was shown that the substrate distortion did not vary with the form- ing of hydrogen bonds.
