title: Reactive oxygen species and energy machinery: an integrated dynamic model.
abstract: The role of several important reactive oxygen species (ROS) on the Krebs cycle, the electron transport chain (ETC) and the two important shuttles has been modelled. Major part of the ROS is produced during oxygen reduction in the ETC, which has been kinetically simulated, and the changes in the final concentrations of several important metabolites were found. The simulation is based on chemical kinetics equation, and the associated set of differential equations was solved by the ordinary differential equation package in Octave. The validity of the model is checked by comparing the experimental results available in the literature with the simulations when a part of the ETC is blocked (80%) in the script. The present approach is versatile and flexible and has potential applications in various simulations. It is easy to study the change in concentrations of various metabolites when a particular enzyme or pathway is blocked (say by a drug). The Octave script is presented in the text.
authors: a Department of Biochemistry , University of Hyderabad , Hyderabad 500046 , India.
authors: Kalyani
authors: K
authors: Korla
mesh_terms: D000465:Algorithms; D002952:Citric Acid Cycle; D003198:Computer Simulation; D004579:Electron Transport; D007700:Kinetics; D008928:Mitochondria / Q000378:metabolism; D008954:Models, Biological; D017382:Reactive Oxygen Species / Q000378:metabolism*
chemical_list: D017382:Reactive Oxygen Species
keywords: GNU Octave; complex I; kinetic simulation; respiratory inhibitors; superoxide