Fast fragment- and compound-screening pipeline at the Swiss Light Source

Author:

Kaminski Jakub W.,Vera LauraORCID,Stegmann Dennis P.,Vering Jonatan,Eris Deniz,Smith Kate M. L.,Huang Chia-YingORCID,Meier Nathalie,Steuber JuliaORCID,Wang MeitianORCID,Fritz GünterORCID,Wojdyla Justyna A.ORCID,Sharpe May E.

Abstract

Over the last two decades, fragment-based drug discovery (FBDD) has emerged as an effective and efficient method to identify new chemical scaffolds for the development of lead compounds. X-ray crystallography can be used in FBDD as a tool to validate and develop fragments identified as binders by other methods. However, it is also often used with great success as a primary screening technique. In recent years, technological advances at macromolecular crystallography beamlines in terms of instrumentation, beam intensity and robotics have enabled the development of dedicated platforms at synchrotron sources for FBDD using X-ray crystallography. Here, the development of the Fast Fragment and Compound Screening (FFCS) platform, an integrated next-generation pipeline for crystal soaking, handling and data collection which allows crystallography-based screening of protein crystals against hundreds of fragments and compounds, at the Swiss Light Source is reported.

Funder

Else Kröner-Fresenius-Stiftung

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

International Union of Crystallography (IUCr)

Subject

Structural Biology

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