乙醇合成途径的计算机重构

Reconstruction of Metabolic Pathways Synthesizing Alcohol by Computers

目的:用计算机重构乙醇合成途径,为合成生物燃料乙醇提供理论依据。方法:利用KEGG反应、化合物数据提取反应等式,过滤掉42个通用代谢物参与的反应,然后利用剩下的反应构建反应矩阵;利用广度优先搜索算法在反应矩阵中搜索生成乙醇的代谢途径。结果:计算机重构了23 108条乙醇合成途径,以大肠杆菌作为产乙醇基因工程菌为例,通过限制改构菌整合的关键酶数目,分别得到了78条以酒精O-乙酰基转移酶为关键酶的乙醇合成通路和89条以丙酮酸脱羧酶和乙醇脱氢酶为关键酶的乙醇合成通路,并构建了相应的乙醇合成网络图,标注每个反应的酶及编码该酶的基因。结论:通过计算机方法重构了多种乙醇合成途径,可以为利用微生物工业化生产乙醇提供理论依据。

Objective： The alcohol synthesis pathways were reconstructed by computational skills to provide theoretical basis for synthesizing fuel alcohol.Methods： At first,the reaction equations were extracted from the KEGG reaction and the compound database.And then the reactions containing 42 current metabolites were filtered out.Finally,the reaction matrix was constructed to search metabolic pathways for alcohol synthesis by the breadth first search approach.Results： 23 108 pathways for synthesizing alcohol were reconstructed by computational skills.Taking Escherichia coli as the genetic engineering bacteria,we picked out 167 pathways by limiting the number of pivotal enzymes to construct the metabolic network,including 78 pathways with alcohol O-cinnamoyltransferase as the key enzyme and 89 pathways with pyruvate decarboxylase and alcohol dehydrogenase as the key enzymes.Catalytic enzymes of each reaction were labeled.Conclusion： Various pathways for alcohol synthesis were predicted by computer-aided reconstruction algorithm in this study.This work can provide a practical and theoretical foundation for the industrial alcohol production by microbes.