大肠杆菌
生物信息学
合成生物学
生化工程
计算生物学
生物合成
生产(经济)
计算机科学
化学
生物化学
过程(计算)
组合化学
生物
酶
基因
工程类
宏观经济学
经济
操作系统
作者
Yongfei Liu,Lin Chen,Li Pi,Qianqian Yuan,Chengwei Ma,Wei Wang,Chijian Zhang,Hongwu Ma,An‐Ping Zeng
标识
DOI:10.1021/acssynbio.3c00394
摘要
Isopentyldiol (IPDO) is an important raw material in the cosmetic industry. So far, IPDO is exclusively produced through chemical synthesis. Growing interest in natural personal care products has inspired the quest to develop a biobased process. We previously reported a biosynthetic route that produces IPDO via extending the leucine catabolism (route A), the efficiency of which, however, is not satisfactory. To address this issue, we computationally designed a novel non-natural IPDO synthesis pathway (route B) using RetroPath RL, the state-of-the-art tool for bioretrosynthesis based on artificial intelligence methods. We compared this new pathway with route A and two other intuitively designed routes for IPDO biosynthesis from various perspectives. Route B, which exhibits the highest thermodynamic driving force, least non-native reaction steps, and lowest energy requirements, appeared to hold the greatest potential for IPDO production. All three newly designed routes were then implemented in the Escherichia coli BL21(DE3) strain. Results show that the computationally designed route B can produce 2.2 mg/L IPDO from glucose but no IPDO production from routes C and D. These results highlight the importance and usefulness of in silico design and comprehensive evaluation of the potential efficiencies of candidate pathways in constructing novel non-natural pathways for the production of biochemicals.
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