新化学实体的发现和早期评价

doi:10.5246/jcps.2012.05.051

摘要/Abstract

摘要：

尽管用于药物开发的经费和时间逐年攀升, 但近些年来被批准上市的新化学实体类药物却很少。随着计算化学学科的进展, 辅助以X-射线晶体学和核磁共振技术, 越来越多有前景的疾病治疗候选药物被发现。多种药物化学策略被发展用于药物早期评价研究。尽管如此, 在药物开发的早期阶段, 如何有效提高候选药物开发的成功率依然存在一些问题待解决。本文主要综述了药物开发早期阶段新化学实体发现和评价的代表性案例。

关键词: 药物发现, 早期药物评价, 吸收/分布/代谢/排泄/毒性

Abstract:

Drug discovery is a costly and time-consuming process, with very few novel molecular entities approved for clinical use today. With the advancement of computational chemistry, integrated X-ray crystallography and nuclear magnetic resonance spectroscopy technology, more and more potential therapeutic agents for the treatment of human diseases are discovered. Furthermore, multiple medicinal chemistry approaches have been developed in support of early drug discovery. However, there is still much can be done in the early phase of drug discovery to improve the chances of success of a drug candidate. This paper reviews the discovery and evaluation of new chemical entities in the early stages of drug development.

Key words: Drug discovery, Early drug evaluation, ADMET

中图分类号:

R916

Supporting:

Foundation items: The Shanghai Committee of Science and Technology (Grant No. 11DZ2260600), and the Fundamental Research Funds for the Central Universities.
^*Corresponding author. Tel.: 86-21-50805873

邓菁, 赵飞, 李剑, 柳红, 蒋华良^*. 新化学实体的发现和早期评价[J]. , DOI: 10.5246/jcps.2012.05.051.

Jing Deng, Fei Zhao, Jian Li, Hong Liu, Hualiang Jiang^* . Discovery and early evaluation of new chemical entities[J]. , DOI: 10.5246/jcps.2012.05.051.

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