Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase
S V Lushchekina
1
,
B. L. Grigorenko
2
,
D I Morozov
2
,
I. V. Polyakov
2
,
A. V. Nemukhin
1, 2
,
S. D. Varfolomeev
1, 2
Publication type: Journal Article
Publication date: 2010-01-01
scimago Q3
SJR: 0.305
CiteScore: 2.8
Impact factor: —
ISSN: 10665285, 15739171
General Chemistry
Abstract
The quantum mechanics/molecular mechanics method was used to model the mechanism of hydrolysis of succinylcholine in the active site of native butyrylcholinesterase and the Asp70Gly single mutant enzyme. The energy diagram for the reaction pathway of the acylation was constructed, and the effect of the mutation on the reaction mechanism and energy characteristics of the process are discussed.
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Lushchekina S. V. et al. Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase // Russian Chemical Bulletin. 2010. Vol. 59. No. 1. pp. 55-60.
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Lushchekina S. V., Grigorenko B. L., Morozov D. I., Polyakov I. V., Nemukhin A. V., Varfolomeev S. D. Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase // Russian Chemical Bulletin. 2010. Vol. 59. No. 1. pp. 55-60.
Cite this
RIS
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TY - JOUR
DO - 10.1007/s11172-010-0044-0
UR - http://link.springer.com/10.1007/s11172-010-0044-0
TI - Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase
T2 - Russian Chemical Bulletin
AU - Lushchekina, S V
AU - Grigorenko, B. L.
AU - Morozov, D I
AU - Polyakov, I. V.
AU - Nemukhin, A. V.
AU - Varfolomeev, S. D.
PY - 2010
DA - 2010/01/01
PB - Springer Nature
SP - 55-60
IS - 1
VL - 59
SN - 1066-5285
SN - 1573-9171
ER -
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BibTex (up to 50 authors)
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@article{2010_Lushchekina,
author = {S V Lushchekina and B. L. Grigorenko and D I Morozov and I. V. Polyakov and A. V. Nemukhin and S. D. Varfolomeev},
title = {Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase},
journal = {Russian Chemical Bulletin},
year = {2010},
volume = {59},
publisher = {Springer Nature},
month = {jan},
url = {http://link.springer.com/10.1007/s11172-010-0044-0},
number = {1},
pages = {55--60},
doi = {10.1007/s11172-010-0044-0}
}
Cite this
MLA
Copy
Lushchekina, S. V., et al. “Modeling of the mechanism of hydrolysis of succinylcholine in the active site of native and modified (Asp70Gly) human butyrylcholinesterase.” Russian Chemical Bulletin, vol. 59, no. 1, Jan. 2010, pp. 55-60. http://link.springer.com/10.1007/s11172-010-0044-0.