计算双循环框架将单酶设计和级联道网络工程联系起来,用于下一代生物合成系统
Yangyang Li1, Guocheng Du1, Jian Chen1
1Key Laboratory of Carbohydrate Chemistry and Biotechnology, Ministry of Education, Jiangnan University, Wuxi 214122, China; Science Center for Future Foods, Ministry of Education, Jiangnan University, Wuxi 214122, China.
Biotechnology advances
|February 28, 2026
概括
计算生物学正在将酶工程转化为预测科学. 本综述强调了优化单酶和多酶网络的计算方法的进步,将分子设计与途径工程集成在一起.
科学领域:
- 计算生物学 计算生物学
- 生物化学 生物化学
- 酵素工程是什么意思 酵素工程
背景情况:
- 传统的酶工程依赖于实证方法,如定向进化和理性设计.
- 这些方法经常面临系统层面的挑战,例如酶稳定性和辅因子兼容性.
- 计算方法为酶优化提供了更具预测性和模型驱动的策略.
研究的目的:
- 审查最近在计算酶工程方面的进展.
- 通过使用设计-构建-测试-学习 (DBTL) 框架将分子级酶设计与途径级集成相结合.
- 为单酶和多酶系统提供计算策略的结构化概述.
主要方法:
- 深度学习用于结构和健身预测.
- 多尺度分子模拟,包括分子动力学 (MD) 和量子力学/分子力学 (QM/MM).
- 分析多酶网络工程策略,如基板道工程和静电合.
主要成果:
- 计算方法可以通过阐明结构-功能关系来预测单个酶的优化.
- 先进的技术有助于设计多酶系统,以实现高效的中间体转移和平衡的流量.
- 在双循环DBTL框架中集成计算工具将分子设计与路径级性能连接起来.
结论:
- 计算生物学对于推进酶工程超越实证方法至关重要.
- 在单酶和多酶层面整合计算策略对于克服系统级瓶至关重要.
- 未来的方向包括进一步完善计算模型及其集成,以实现强大的酶和途径设计.
相关概念视频
Synthetic Biology
5.7K
Synthetic biology is an interdisciplinary science that involves using principles from disciplines such as engineering, molecular biology, cell biology, and systems biology. It involves remodeling existing organisms from nature or constructing completely new synthetic organisms for applications such as protein or enzyme production, bioremediation, value-added macromolecule production, and the addition of desirable traits to crops, to name a few.
Golden rice
Golden rice is a genetically modified...
Golden rice
Golden rice is a genetically modified...
5.7K
Biosynthesis in Bacteria
843
Biosynthesis in bacteria is a fundamental anabolic process that generates essential macromolecules, including proteins, nucleic acids, lipids, and polysaccharides. These macromolecules are critical for cellular growth, replication, and function. The process is tightly regulated and energetically linked to catabolic pathways to ensure optimal resource utilization.Biosynthetic pathways begin with precursor metabolites such as pyruvate, acetyl-CoA, and glucose-6-phosphate derived from glycolysis,...
843
Operon Model
1.7K
The operon model represents a fundamental mechanism of gene regulation in prokaryotes, enabling coordinated expression of genes involved in related metabolic or functional pathways. Operons consist of structural genes, a promoter, and an operator, with transcription regulated by repressors, activators, and small effector molecules.Structure and Function of OperonsAn operon is a cluster of structural genes transcribed together under the control of a single promoter. The promoter region...
1.7K


