计算机重构石油烃降解的微生物代谢途径

目的:用计算机重构石油烃降解通路,为石油污染的生物修复提供理论依据。方法:利用KEGG反应、化合物数据提取反应等式,过滤掉所有反应中的通用化合物及小分子化合物并构建反应矩阵,然后利用广度优先搜索算法在反应矩阵中搜索降解石油烃的代谢途径。结果:计算机分别重构了256 132条链烷烃降解途径和44条环己烷降解途径,以酿酒酵母作为降解石油烃的基因工程菌为例,通过限制改构菌整合的关键酶数目,分别得到了213条不需要转入关键酶的链烷烃降解通路和6条以氧化还原酶、松柏醇脱氢酶或环己醇脱氢酶和环己酮单氧酶为关键酶的环己烷降解通路,并构建相应的降解网络图,标注每个反应的酶。结论:应用计算机重构了2种石油烃降解途径,可为利用微生物对石油污染进行生物修复提供理论依据。

Computational Reconstruction of Microbial Pathways for Degrada- tion of Petroleum Hydrocarbons

Objective： Metabolic pathways for degradation of petroleum hydrocarbons were reconstructed by com putational skills to provide theoretical basis for the bioremediation of oil polution. Methods： At first, the reaction equations were extracted from the KEGG reaction database and the compound database. And then current metabo lites and micromolecule compounds in all the reactions were filtered out. Finally, the reaction matrix was construct ed to search metabolic pathways for degrading petroleum hydrocarbons by the breadth first search approach. Re suits： 256 132 pathways for degrading alkanes and 44 pathways for degrading cyclohexane were reconstructed by computational skills. Taking Saccharomyces cerevisiae as the genetic engineering bacteria, we picked out 219 path ways by limiting the number of pivotal enzymes to construct the metabolic network, including 213 pathways with out key enzymes and 6 pathways with oxidoreductases, coniferyl alcohol dehydrogenase or cyclohexanol dehydroge nase and cyclohexanone monooxygenase as key enzymes. Catalytic enzymes of every reaction were labeled. Conclu sion： Pathways for degrading two different kinds of petroleum hydrocarbons were predicted by computeraided re construction algorithm in this study. This work can provide theoretical foundation for the bioremediation of oil polu tion by microbes.