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计算机辅助药物设计中的新技术:迈向靶点识别与新化学实体发现

New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery.

作者信息

Tang Yun, Zhu Weiliang, Chen Kaixian, Jiang Hualiang

机构信息

School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China.

Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China.

出版信息

Drug Discov Today Technol. 2006 Autumn;3(3):307-13. doi: 10.1016/j.ddtec.2006.09.004.

Abstract

In the postgenomic era, computer-aided drug design (CADD) has considerably extended its range of applications, spanning almost all stages in the drug discovery pipeline, from target identification to lead discovery, from lead optimization to preclinical or clinical trials. Two new technologies of CADD associated with target identification and new chemical entity discovery will be the focus of this review.:

摘要

在后基因组时代,计算机辅助药物设计(CADD)的应用范围大幅扩展,几乎涵盖了药物研发流程的所有阶段,从靶点识别到先导化合物发现,从先导化合物优化到临床前或临床试验。与靶点识别和新化学实体发现相关的两种CADD新技术将是本综述的重点。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/27dc/7185835/e7bc295ac852/gr1.jpg

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