COVID-19 poses a serious threat to people's health, and it is urgent to develop drugs to treat COVID-19 quickly. The screening of anti-COVID-19 drugs by using the clinical and approved compounds can greatly shorten the research and development cycle. In addition, the virtual screening technology can effectively narrow the scope of screening and improve the screening efficiency in the pre-screening of new drugs.

Taking advantage of our virtual screening, we conduct virtual screening of approved compound library and clinical compound library based on the 3CL protease (PDB ID: 6LU7), Spike Glycoprotein (PDB ID: 6VSB), NSP15 (PDB ID: 6VWW), RDRP, PLPro and ACE2 (Angiotensin Converting Enzyme 2) structure. We design a unique collection of 1,475 compounds which may have anti-COVID-19 activity. Anti-COVID-19 Compound Library will be a powerful tool for screening new anti-COVID-19 activity drugs.

For pre-dissolved solutions, 10 mM for compounds with the solubility not lower than 10 mM, 2 mM for compounds with solubility between 2 mM and 10 mM, and 3 mg/mL for compounds with unconfirmed molecular weight and solubility not lower than 3 mg/mL.