期刊
FRONTIERS IN PHARMACOLOGY
卷 11, 期 -, 页码 -出版社
FRONTIERS MEDIA SA
DOI: 10.3389/fphar.2020.615211
关键词
in-crystal fragment screening; CR3022; drug discovery; PPI inhibitors; SARC-CoV-2-RBD
资金
- British Heart Foundation [FS/14/29/30896]
- Medical Research Council [MC_PC_17164]
- BBSRC [BB/T002212/1] Funding Source: UKRI
- MRC [MC_PC_17164] Funding Source: UKRI
In-crystal fragment screening is a powerful tool to chemically probe the surfaces used by proteins to interact, and identify the chemical space worth exploring to design protein-protein inhibitors. A crucial prerequisite is the identification of a crystal form where the target area is exposed and accessible to be probed by fragments. Here we report a crystal form of the SARS-CoV-2 Receptor Binding Domain in complex with the CR3022 antibody where the ACE2 binding site on the Receptor Binding Domain is exposed and accessible. This crystal form of the complex is a valuable tool to develop antiviral molecules that could act by blocking the virus entry in cells.
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