基于计算机辅助设计的合成塑料降解酶工程研究进展
Research Progress on Engineering of Degradative Enzymes for Synthetic Plastics Based on Computer-Aided Design
王祥勤 1高乐1
作者信息
- 1. 长春理工大学生命科学技术学院，吉林省长春市 130000
- 折叠
摘要
塑料是一类典型的难降解多聚物，自然降解十分困难，传统人工处理方式易造成环境污染与资源浪费。酶促降解因高效、环境友好而成为绿色资源化的重要途径，但天然酶普遍存在热稳定性差、催化效率低等缺陷。计算机辅助设计（CAD）通过结构预测、分子对接、分子动力学模拟、机器学习及嵌合酶模块化设计等方法，已成功指导多种高性能PET水解酶的开发，并在聚氨酯、聚烯烃降解酶的改造中取得显著进展，同时推动了碳水化合物结合模块融合酶和人工嵌合酶等新策略的发展。系统梳理上述成果可为高效降解酶的理性设计与智能化改造提供方法学参考，为合成塑料的生物催化资源化利用及环境污染治理提供理论支撑。?????
Abstract
Plastics are typical type of recalcitrant polymers, which are difficult to degrade naturally. Traditional disposal methods easily cause environmental pollution and resource waste. Enzymatic degradation has become an important approach for green resource utilization due to its high efficiency and environmental friendliness. However, natural enzymes generally suffer from poor thermostability and low catalytic efficiency.Computer-Aided Design (CAD) strategies, including protein structure prediction, molecular docking, molecular dynamics simulation, machine learning, and modular design of chimeric enzymes, have successfully guided the development of various high-performance PET hydrolases. Remarkable progress has also been achieved in the modification of degrading enzymes for polyurethane, polyolefins. Meanwhile, CAD promotes the development of novel strategies such as carbohydrate-binding module-fused enzymes and artificial chimeric enzymes.A systematic review of the above achievements can provide methodological references for the rational design and intelligent modification of high-efficiency degrading enzymes, and offer theoretical support for the biocatalytic resource utilization of synthetic plastics and environmental pollution remediation.?????关键词
计算机辅助设计/塑料降解酶/重组蛋白/嵌合酶Key words
Computer-Aided Design (CAD)/Plastics Degradative Enzymes/Chimeric Enzymes?????引用本文复制引用
王祥勤,高乐.基于计算机辅助设计的合成塑料降解酶工程研究进展[EB/OL].(2026-06-26)[2026-06-28].http://www.paper.edu.cn/releasepaper/content/202606-70.学科分类
生物科学研究方法、生物科学研究技术
