数智药学推进智慧药物研究创新发展

Digital and Intelligent Pharmacy Promotes the Innovation Development of Smart Drug Research

关键词:  药物研发  新药模式  人工智能  智慧药物设计

Key words:  research and development of drugs  new drug modality  artificial intelligence  smart drug design

摘要:

新药的研发越来越受到前沿科技的影响。如何高效利用当前蓬勃发展的数智方法，推动智慧药物创新发展，让基于表型筛选和基于靶点的新药物发现经典范式焕发活力，成为当前亟待发展的科技领域。为进一步促进数智方法的深入应用，本期推出了“数智药学——智慧药物研究”专栏，分为“药物与靶点相互作用研究、计算机辅助药物设计”和“抗体药物发现、合成路线设计与分子动力学研究”两部分探讨，覆盖数智药学的多个方面，以期促进药学知识图谱构建，加快智慧药物的创新研究。

Abstract:

The research and development of new drugs is heavily influenced by the cutting-edge technology. How to make efficient use of the current flourishing digital intelligence methods, promote the innovational development of smart drugs, and revitalize the classic target-based/phenotypic drug discovery paradigm has become an urgent scientific issue. In order to further promote the in-depth application of digital intelligence methods, the column named “Digital Intelligent Pharmacy: Research on Smart Drugs” is introduced and divided into two parts, “interaction between drugs and targets, computer aided drug design” and “therapeutic antibody discovery, synthetic route design and molecular dynamics study”. This column covers various fields related to the smart drug research, and is supposed to help the pharmaceutical knowledge map construction and accelerate the innovative research on smart drugs.