药效团模型的发展：生成及在药物发现中的最新应用。
The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery.
机构信息
Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing, 210009, China.
School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing, 210023, China.
出版信息
Curr Pharm Des. 2018;24(29):3424-3439. doi: 10.2174/1381612824666180810162944.
BACKGROUND
The pharmacophore concept in modern drug research is of great importance and promotes the development of drug industry as indicated by the number of publications available.
METHODS
In this article, we reviewed and highlighted some successful examples of pharmacophore modeling, which was applied either in virtual screening for efficient hit discovery or in the optimization of the lead compounds. Meanwhile, the analysis of some important aspects of pharmacophore modeling such as a database, the software was listed as well.
RESULTS
Based on the analysis of these examples, we intended to provide an overview of pharmacophore-based virtual screening, which we hope to help readers gain insight into this powerful technique.
CONCLUSION
Owing to its' convenience and efficiency, pharmacophore presents an essential method for drug discovery.
背景
在现代药物研究中，药效团概念非常重要，其相关出版物的数量表明它推动了药物产业的发展。
方法
在本文中，我们回顾并强调了一些成功的药效团建模实例，这些实例要么应用于高效命中发现的虚拟筛选，要么应用于先导化合物的优化。同时，还对药效团建模的一些重要方面进行了分析，如数据库、软件等。
结果
通过对这些实例的分析，我们旨在提供基于药效团的虚拟筛选概述，希望帮助读者深入了解这一强大技术。
结论
由于其方便和高效，药效团为药物发现提供了一种必不可少的方法。
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