RBD-Targeted compound library (CADD), 206 compounds
|Library Type:||COVID-19 / SARS-CoV-2|
|Number of Compounds:||206|
- A unique collection of 206 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 RBD of S 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
Spike is the main structural protein of coronavirus and assembles into a special corolla structure on the surface of the virus as a trimer. Spike is a main protein that interacts with the host by binding to host cell receptors to mediate virus invasion and determine viral tissue or host tropism. Spike is cleaved into S1 and S2 by the host cell protease like TMPRSS2, etc. The main function of S1 is to bind with host cell surface receptors through RBD, and the S2 subunit mediates virus-cell and cell-cell membrane fusion. Spike structural integrity and cleavage activation play a key role in virus invasion and virulence. Therapeutic strategies to block coronavirus from entering host cells by targeting RBD of Spike proteins or specific receptors on the host surface are valuable for the development of anti-viral drugs.
Based on the protein structure of RBD of S protein, we selected 206 top-ranked docked molecules into RBD-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.