Russian Chemical Bulletin

, том 59 , издание 1 , страницы 55-60

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}

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N. M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russian Federation |

Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow, Russian Federation |

Тип публикации: Journal Article

Дата публикации: 2010-01-01

Springer Nature

Russian Chemical Bulletin

scimago Q3

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SJR: 0.305

CiteScore: 2.8

Impact factor: —

ISSN: 10665285, 15739171

DOI: 10.1007/s11172-010-0044-0

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General Chemistry

Краткое описание

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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Московский государственный университет имени М.В. Ломоносова

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Механизмы реакций

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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.

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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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@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}

}

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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, vol. 59, no. 1, Jan. 2010, pp. 55-60. http://link.springer.com/10.1007/s11172-010-0044-0.