title: Computer simulation of purine metabolism.
abstract: A computer model of purine metabolism, including catabolism, salvage pathways and interconversion among nucleotides, is given. Steady-state rate equations corresponding to metabolic enzymes are written based on information from the literature about their kinetic behaviour. Numerical integration of this set of equations is performed employing selected parameters taken from the literature. After stabilization of purine compound concentrations is reached, simulation of enzyme deficit and enzyme overproduction is carried out. The latter is calculated by varying specified maximum velocities in the numerical integration. A pattern of intermediate metabolite concentrations is found. These results form a basis for the comparison of normal patterns or patterns reflecting the effects of inborn errors of metabolism. The aim of this paper is to demonstrate the usefulness of this computer simulation method in complex metabolism pathways.
mesh_terms: D015720:5'-Nucleotidase; D000659:AMP Deaminase / Q000378:metabolism; D000228:Adenine Phosphoribosyltransferase / Q000378:metabolism; D000243:Adenosine Deaminase / Q000378:metabolism; D000264:Adenylosuccinate Lyase / Q000378:metabolism; D000265:Adenylosuccinate Synthase / Q000378:metabolism; D019731:Carbon-Nitrogen Ligases; D003201:Computers; D050899:GMP Reductase; D006148:Guanine Deaminase / Q000378:metabolism; D007168:IMP Dehydrogenase / Q000378:metabolism; D008025:Ligases / Q000378:metabolism; D008956:Models, Chemical; D009247:NADH, NADPH Oxidoreductases / Q000378:metabolism; D009708:Nucleotidases / Q000378:metabolism; D011683:Purine-Nucleoside Phosphorylase / Q000378:metabolism; D011687:Purines / Q000378:metabolism*; D014969:Xanthine Oxidase / Q000378:metabolism
chemical_list: D011687:Purines; D007168:IMP Dehydrogenase; D014969:Xanthine Oxidase; D009247:NADH, NADPH Oxidoreductases; D050899:GMP Reductase; D011683:Purine-Nucleoside Phosphorylase; D000228:Adenine Phosphoribosyltransferase; D009708:Nucleotidases; D015720:5'-Nucleotidase; D006148:Guanine Deaminase; D000243:Adenosine Deaminase; D000659:AMP Deaminase; D000264:Adenylosuccinate Lyase; D008025:Ligases; D019731:Carbon-Nitrogen Ligases; D000265:Adenylosuccinate Synthase; C020828:GMP synthase (glutamine-hydrolyzing)