人工智能蛋白质设计技术的研究进展及在生物医药创新开发中的应用与面临的挑战  

Research progress of artificial intelligence powered protein design and the prospect and challenges of its application in innovative biologics design

作　　者：苗洪江 董泽凯 向秋茹 薛贵荣 MIAO Hongjiang;DONG Zekai;XIANG Qiuru;XUE Guirong(Shanghai Tianrang Intelligence Co.,Ltd.,Shanghai 200232,China)

机构地区：[1]上海天壤智能科技有限公司,上海200232

出　　处：《上海医药》2024年第7期1-9,55,共10页Shanghai Medical & Pharmaceutical Journal

摘　　要：蛋白质是协调复杂生命过程的精密“分子机器”,具有巨大的医疗应用潜力。然而,因为蛋白质的一维氨基酸序列、三维结构和生物功能之间的关联复杂,所以设计蛋白质并将其工程化以实现预期的功能和特性是一个极其困难的挑战。目前,人工智能在各个领域均取得了革命性的进展,人工智能与蛋白质工程技术的结合已成为一种强大的新型蛋白质设计工具,可用于生成各类生物活性分子。本文介绍人工智能蛋白质模拟和设计领域的研究进展和应用,尤其是在生物医药创新开发应用中面临的挑战和前景。Proteins,the intricate“molecular machines”that orchestrate life’s processes,hold immense potential for therapeutic applications.However,the designing and engineering of these proteins towards desired properties and functions remain a formidable challenge due to the complex interplay between the amino acid sequence,the three dimensional structure,and biological function.Artificial intelligence(AI)has been making transformative strides in various fields and its combination with protein engineering techniques offers a powerful toolkit in generating novel proteins for synthetic biology and therapeutics development.In this review,we will discuss the advancements and applications of AI in protein modeling and design and highlight the challenges and outlook of its applications.

关 键 词：人工智能 蛋白质工程 新型蛋白质 合成生物学 药物开发 

分 类 号：O629.73[理学—有机化学] TP399[理学—化学]