Adrian Stecula, Rebecca Paul, Kevin Litchfield, Samuel E Dalton, Caroline M R Low, Carlos R Reis, Miles Congreve
{"title":"The rise of AlphaFold in drug design.","authors":"Adrian Stecula, Rebecca Paul, Kevin Litchfield, Samuel E Dalton, Caroline M R Low, Carlos R Reis, Miles Congreve","doi":"10.1016/bs.pmch.2025.09.002","DOIUrl":null,"url":null,"abstract":"<p><p>The arrival of AlphaFold marked a new era in structural biology, with this transformative AI technology now reshaping the landscape of drug design. In this chapter we discuss advances across the drug design process, including target identification and validation, the acceleration of hit-finding campaigns through virtual screening, and the enablement of structure-based drug design. We explore the exciting frontiers of modulating protein-protein interactions, the rational discovery of molecular glues, and antibody drug design. While celebrating remarkable progress, we also acknowledge the current limitations of these models. This chapter offers a narrative of a rapidly evolving field, showing how AI-driven structural insights are deepening our understanding of biology and will enable the design of novel therapeutics with unprecedented precision and speed.</p>","PeriodicalId":20755,"journal":{"name":"Progress in medicinal chemistry","volume":"64 ","pages":"99-147"},"PeriodicalIF":0.0000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Progress in medicinal chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1016/bs.pmch.2025.09.002","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/10/16 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"Pharmacology, Toxicology and Pharmaceutics","Score":null,"Total":0}
引用次数: 0
Abstract
The arrival of AlphaFold marked a new era in structural biology, with this transformative AI technology now reshaping the landscape of drug design. In this chapter we discuss advances across the drug design process, including target identification and validation, the acceleration of hit-finding campaigns through virtual screening, and the enablement of structure-based drug design. We explore the exciting frontiers of modulating protein-protein interactions, the rational discovery of molecular glues, and antibody drug design. While celebrating remarkable progress, we also acknowledge the current limitations of these models. This chapter offers a narrative of a rapidly evolving field, showing how AI-driven structural insights are deepening our understanding of biology and will enable the design of novel therapeutics with unprecedented precision and speed.
期刊介绍：
This series has a long established reputation for excellent coverage of almost every facet of Medicinal Chemistry and is one of the most respected and instructive sources of information on the subject. The latest volume certifies to the continuing success of a unique series reflecting current progress in a broadly developing field of science.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
