整合药物化学——药物发现中的新范式  

Integrated medicinal chemistry:new modalities and methodologies in drug discovery

作　　者：徐淑静 丁当 刘新泳[1] 展鹏[1] XU Shu-jing;DING Dang;LIU Xin-yong;ZHAN Peng(Key Laboratory of Chemical Biology(Ministry of Education),Department of Medicinal Chemistry,School of Pharmaceutical Sciences,Shandong University,Jinan 250012,China)

机构地区：[1]山东大学药学院药物化学研究所,化学生物学教育部重点实验室,山东济南250012

出　　处：《药学学报》2022年第10期2889-2901,I0005,共14页Acta Pharmaceutica Sinica

基　　金：国家自然科学基金面上项目(82173677);山东省杰出青年基金(ZR2020JQ31);山东省重大科技创新工程项目(2019JZZY021011)。

摘　　要：新药研发是一项高投资、长周期、高风险的技术密集型产业。近年来,随着组学技术、生物信息学、高通量与高内涵筛选、人工智能等现代学科的迅速发展,小分子新药研发呈现出以“整合药物化学”为特征的药物发现新范式。本文总结并探讨了药物化学领域的交叉融合与整合创新。New drug research and development is a technology-intensive industry with high investment,high cycle and high risk.In recent years,with the rapid development of modern disciplines such as omics technology,bioinformatics,high-throughput and high-content screening,and artificial intelligence,the research and development of small-molecule drugs has presented a new paradigm characterized by"integrated medicinal chemistry".This review summarizes new enabling drug discovery technologies,the emergence of new subfields formed through integration innovations and practical chemistry toolbox in the field of medicinal chemistry.

关 键 词：新药模式 化学工具箱 药物设计 药物化学 智能设计 后期功能化 

分 类 号：R914[医药卫生—药物化学]