A modeling and simulation perspective on the mechanism and function of respiratory complex I

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Haapanen , O & Sharma , V 2018 , ' A modeling and simulation perspective on the mechanism and function of respiratory complex I ' , Biochimica et Biophysica Acta. Bioenergetics , vol. 1859 , no. 7 , pp. 510-523 . https://doi.org/10.1016/j.bbabio.2018.04.001

Title: A modeling and simulation perspective on the mechanism and function of respiratory complex I
Author: Haapanen, Outi; Sharma, Vivek
Other contributor: University of Helsinki, Department of Physics
University of Helsinki, Department of Physics

Date: 2018-07
Language: eng
Number of pages: 14
Belongs to series: Biochimica et Biophysica Acta. Bioenergetics
ISSN: 0005-2728
DOI: https://doi.org/10.1016/j.bbabio.2018.04.001
URI: http://hdl.handle.net/10138/235534
Abstract: Abstract Respiratory complex I is a giant redox-driven proton pump, and central to energy production in mitochondria and bacteria. It catalyses the reduction of quinone to quinol, and converts the free energy released into the endergonic proton translocation across the membrane. The proton pumping sets up the proton electrochemical gradient, which propels the synthesis of ATP. Despite the availability of extensive biochemical, biophysical and structural data on complex I, the mechanism of coupling between the electron and proton transfer reactions remain uncertain. In this work, we discuss current state-of-the-art in the field with particular emphasis on the molecular mechanism of respiratory complex I, as deduced from computational modeling and simulation approaches, but in strong alliance with the experimental data. This leads to novel synthesis of mechanistic ideas on a highly complex enzyme of the electron transport chain that has been associated with a number of mitochondrial and neurodegenerative disorders.
Subject: Cellular respiration
Electron transfer
Proton pumping
Mitochondrial dysfunction
Reactive oxygen species
MOLECULAR-MECHANISM
BOVINE HEART-MITOCHONDRIA
PROTON-PUMPING MECHANISM
CYTOCHROME-C-OXIDASE
ENERGY-CONVERSION
ESCHERICHIA-COLI NDH-1
COUPLED ELECTRON-TRANSFER
2 BINDING-SITES
HEREDITARY OPTIC NEUROPATHY
NADH-UBIQUINONE OXIDOREDUCTASE
1182 Biochemistry, cell and molecular biology
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