PLpro-Targeted compound library (CADD), 474 compounds
|Library Type:||COVID-19 / SARS-CoV-2|
|Number of Compounds:||474|
- A unique collection of 474 compounds having the potential of anti-SARS-CoV-2 activity, can be used for high throughput screening and high content screening
- Top-ranked docked compounds targeting PLpro will improve the hit success rate
- Detailed compound information with structure, target, and biological activity description
- NMR and HPLC validated to ensure high purity and quality
PLpro is responsible for the cleavages of N-terminus of the replicase poly-protein to release Nsp1, Nsp2 and Nsp3, which is essential for correcting virus replication. PLpro was also confirmed to be significant to antagonize the host's innate immunity. As an indispensable enzyme in the process of coronavirus replication and infection of the host, PLpro has been a popular target for coronavirus inhibitors. It is very valuable for targeting PLpro to treat coronavirus infections, but no inhibitor has been approved by the FDA for marketing.
Based on the protein structure of PLpro, we selected 474 top-ranked docked molecules into PLpro-Targeted compound library (CADD) by molecular docking virtual screening against 15,376 compound structures. To speed up the research and development of anti-SARS-CoV-2 drugs, we provide the virtual screening result for free.