人工智能辅助的蛋白质稳定性优化  

Artificial intelligence-assisted protein stability optimization

作　　者：李瑞 赵阳 张晗 杨广宇[1,2] LI Rui;ZHAO Yang;ZHANG Han;YANG Guangyu(State Key Laboratory of Microbial Metabolism,Shanghai Jiao Tong University School of Life Science and Biotechnology,Shanghai 200240,China;Institute of Key Raw Materials,Shanghai Academy of Experimental Medicine,Shanghai 200240,China)

机构地区：[1]上海交通大学生命科学技术学院微生物代谢国家重点实验室,上海200240 [2]上海市实验医学研究院关键原材料研究所,上海200240

出　　处：《上海医药》2024年第7期10-15,75,共7页Shanghai Medical & Pharmaceutical Journal

基　　金：国家自然科学基金资助项目(32030063);国家自然科学基金青年科学基金资助项目(BC0800411);广东省重点领域研发计划资助项目(2022B1111050001)。

摘　　要：蛋白质药物具有作用机制清晰、作用特异性强、不良反应少等优势,临床应用前景巨大。蛋白质的稳定性是蛋白质药物的一项非常重要的指标,对于其成药性、安全性和有效性都至关重要。近年来,人工智能辅助的蛋白质改造工程逐渐发展成为一种高效的蛋白质分子设计新策略,并被广泛应用于蛋白质稳定性预测、药物设计和抗体优化等方面。本文介绍主要的人工智能辅助的蛋白质稳定性优化方法,讨论不同种类优化方法的优劣及其在蛋白质药物设计和优化中的应用,探讨人工智能在蛋白质稳定性设计中的挑战和前景,以期为研究者们开发更稳定、更高效的蛋白质药物提供新的思路。Protein drugs have the advantages of strong targeting,clear mechanism of action and fewer adverse reactions,so they have great application prospects in clinic.The stability of protein is one of the most important properties of protein drugs,which is crucial for drugs’efficacy,safety and stability.In recent years,protein engineering assisted by artificial intelligence(AI)has been developed into an efficient strategy for protein molecular design,and has been widely used in protein stability prediction,drug design and antibody optimization.In this paper,we introduce several major methods of AI-assisted protein stability optimization,discuss their advantages and disadvantages and their applications in protein drug design and optimization.We also discuss the challenges and prospects of AI in protein stability design.We hope this paper will provide new ideas for researchers to develop more stable and efficient protein drugs.

关 键 词：人工智能 蛋白质稳定性 蛋白质药物 

分 类 号：TP399[自动化与计算机技术—计算机应用技术] Q819[自动化与计算机技术—计算机科学与技术]