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高通量筛选和基于结构的方法在命中发现中的应用:是否存在明显的优胜者?

High-throughput screening and structure-based approaches to hit discovery: is there a clear winner?

机构信息

Astex Pharmaceuticals , 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA , UK.

出版信息

Expert Opin Drug Discov. 2013 Dec;8(12):1449-53. doi: 10.1517/17460441.2013.857654. Epub 2013 Nov 9.

Abstract

INTRODUCTION

There are currently many lead discovery platforms available for drug discovery. Yet, it is often debated whether any of the available platforms are superior or standout to the other vast number of available technologies.

AREAS COVERED

The authors comment, in this editorial, on the use and current state of the art of diversity-based high-throughput screening and how this has evolved and been improved from its earliest manifestations. They also describe structure- and computational-based drug discovery strategies and reflect on the differences between these two approaches.

EXPERT OPINION

Looking to the future, success in drug discovery is likely to depend on the intelligent deployment of multiple hit identification techniques, appropriate to the drug target, to identify and optimise novel drug leads. The authors' opinion is that there is no clear winner, but that each platform has its own particular strengths and different targets may be more amenable to one platform over another. The authors suggest that the most appropriate platform should be used on a case-by-case basis.

摘要

简介

目前有许多用于药物发现的先导化合物发现平台。然而,人们常常争论是否有任何可用的平台比其他大量可用的技术更优越或突出。

涵盖领域

在这篇社论中,作者对基于多样性的高通量筛选的使用和当前的技术水平进行了评论,并描述了这种方法从早期表现到现在的发展和改进。他们还描述了基于结构和基于计算的药物发现策略,并对这两种方法之间的差异进行了反思。

专家意见

展望未来,药物发现的成功可能取决于多种命中识别技术的智能部署,这些技术适合药物靶点,以识别和优化新型药物先导化合物。作者认为,没有明确的赢家,但每个平台都有自己的特点,不同的靶点可能更适合于一个平台而不是另一个平台。作者建议应根据具体情况选择最合适的平台。

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