ACE2-Targeted compound library (CADD), 462 compounds

Library Type: COVID-19 / SARS-CoV-2
Number of Compounds: 462

Additional Information

  • A unique collection of 462 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 human ACE2 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

The host ACE2 has been proved by many studies to be the specific receptor for the Spike RBD of SARS-CoV12. The latest research shows that the host receptor of SARS-CoV-2 is consistent with SARS-CoV, exhibiting that the Spike RBD sequence of SARS-CoV-2 is similar to SARS-CoV RBD and there are important interactions between several key amino acid residues of RBD receptor-binding motif and ACE2. Based on the current research progress, ACE2 is considered as a host target for the treatment of coronavirus infection to block SARS-CoV-2 from entering host cells.

By binding with ACE2, small molecules have the potential to disrupt the interaction of ACE2 with RBD. Based on the protein structure of human ACE2, we selected 462 top-ranked docked molecules into ACE2-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.

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Please contact:

Dr. Bettina Buchmann

Tel. +49 (0) 6221 71415 16