title: Mathematica program: its use to simulate metabolic irreversible pathways and inhibition of the first enzyme of a pathway by its end product as visualized with the reservoir model.
abstract: The main objective of this report is to show the usefulness and versatility of the Mathematica program to simulate enzyme linear pathways and to depict the effect of changing the Vmax and/or Km values of one or more enzymes on the course of the reaction. In addition, analysis of the different types of inhibition of the first enzyme of the pathway by its end product is viewed with the reservoir model for enzyme kinetics. All the data shown here are quantitatively related to the kinetic constants of the implicated enzymes. Particular attention has been paid to calculate the time needed to achieve half of the possible total synthesis of the final product of a metabolic pathway.
authors.affiliation: Departamento de Bioquímica, Facultad de Medicina, Instituto de Investigaciones Biomédicas Alberto Sols UAM/CSIC, Arzobispo Morcillo, 4, Madrid, 28029, Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: López-Cánovas
authors.forename: Paula J F
authors.initials: PJ
authors.lastname: Gomes
authors.forename: Antonio
authors.initials: A
authors.lastname: Sillero
mesh_terms: D019295:Computational Biology / Q000379:methods*; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D004798:Enzymes / Q000737:chemistry* / Q000378:metabolism*; D007700:Kinetics; D053858:Metabolic Networks and Pathways; D008954:Models, Biological; D012984:Software
chemical_list: D004791:Enzyme Inhibitors; D004798:Enzymes