同步加速器中用于药物发现的x射线晶体学的综合方法——以金刚石光源为例

Q1 Pharmacology, Toxicology and Pharmaceutics Drug Discovery Today: Technologies Pub Date : 2020-12-01 DOI:10.1016/j.ddtec.2020.10.003
Marco Mazzorana, Elizabeth J. Shotton, David R. Hall
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引用次数: 4

摘要

详细了解药物及其靶点之间的相互作用对于开发最佳治疗药物至关重要。基于结构的药物设计依赖于主要通过x射线晶体学获得的高分辨率结构的可用性。快速收集和分析大量结构数据对于加快药物发现管道至关重要。来自学术界和工业界的研究人员可以访问英国国家同步加速器钻石光源的高度自动化的大分子晶体学(MX)光束线,从大量晶体中快速收集衍射数据。Diamond拥有7条专用于MX的光束线,可为各种用户需求提供定制解决方案。MX光束线与最先进的实验室和其他生命科学仪器协同工作,提供集成的产品,为确定新药理学靶点的结构以及有效研究蛋白质配体复合物提供了创新和多学科的方法。
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A comprehensive approach to X-ray crystallography for drug discovery at a synchrotron facility — The example of Diamond Light Source

A detailed understanding of the interactions between drugs and their targets is crucial to develop the best possible therapeutic agents. Structure-based drug design relies on the availability of high-resolution structures obtained primarily through X-ray crystallography. Collecting and analysing quickly a large quantity of structural data is crucial to accelerate drug discovery pipelines. Researchers from academia and industry can access the highly automated macromolecular crystallography (MX) beamlines of Diamond Light Source, the UK national synchrotron, to rapidly collect diffraction data from large numbers of crystals. With seven beamlines dedicated to MX, Diamond offers bespoke solutions for a wide variety of user requirements. Working in synergy with state-of-the-art laboratories and other life science instruments to provide an integrated offering, the MX beamlines provide innovative and multidisciplinary approaches to the determination of structures of new pharmacological targets as well as the efficient study of protein-ligand complexes.

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来源期刊
Drug Discovery Today: Technologies
Drug Discovery Today: Technologies Pharmacology, Toxicology and Pharmaceutics-Drug Discovery
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期刊介绍: Discovery Today: Technologies compares different technological tools and techniques used from the discovery of new drug targets through to the launch of new medicines.
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