nsp16-Targeted compound library (CADD), 281 compounds
|Library Type:||COVID-19 / SARS-CoV-2|
|Number of Compounds:||281|
- A unique collection of 281 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 nsp16 protein 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
Most viral mRNAs possess a 5'-terminal cap structure (m7GpppN) which is essential for efficient splicing, nuclear export, translation and stability. This structure undergoes methylation catalyzed by non-structural protein 16 (nsp16), 2'-O-ribose methyltransferase, at the ribose 2'-O position of the first and second nucleotide of the mRNA. Nsp16 provides the viral mRNA with the ability to camouflage and obscure itself from the host cell, thus preventing recognition and activation of the host immune response which is essential for successful viral infection. This protein can, therefore, act as another potential drug target for the SARS-CoV-2.
Based on the protein structure of nsp16 protein, we selected 281 top-ranked docked molecules into nsp16-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.