发明名称 METHOD FOR DESIGNING OVERALL STOICHIOMETRIC CONVERSIONS AND INTERVENING METABOLIC REACTIONS
摘要 The present invention describes a two-step computational procedure that both identifies the optimum overall stoichiometry of conversion, along with alternate co-reactant (or co-product) combinations, of a feedstock substrate to a biochemical product, and selects for (non-)native reactions accessed from a universal database to identify at least one stoichiometry-balanced minimal metabolic network, in terms of number of reactions or sum of the flux in the network, that maximize carbon or energy efficiency while satisfying thermodynamic feasibility requirements. A representation of the overall stoichiometry of conversion and the minimal metabolic network as designed can be stored.
申请公布号 US2017116369(A1) 申请公布日期 2017.04.27
申请号 US201615146602 申请日期 2016.05.04
申请人 THE PENN STATE RESEARCH FOUNDATION 发明人 Chowdhury Anupam;Maranas Costas D.
分类号 G06F19/12;G06F17/11 主分类号 G06F19/12
代理机构 代理人
主权项 1. A method of designing de novo metabolic networks, said method comprising: a. providing one or more source metabolites and one or more target products; b. selecting one or more reaction constraints to define and/or optimize the overall stoichiometry of the conversion; c. determining the overall stoichiometry of the conversion for converting the one or more source metabolites to the one or more target products; d. optimizing the overall stoichiometry of the conversion by exhaustively exploring co-reactant/co-product combinations and their respective stoichiometric coefficients; e. accessing a database of metabolites, said database containing specific data for each metabolite; f. identifying an optimal network of intervening metabolites and reactions from the database that link the provided one or more source metabolites and the one more target products in the desired stoichiometric ratios.
地址 University Park PA US