Active Learning and the Potential of Neural Networks Accelerate Molecular Screening for the Design of a New Molecule Effective against SARS-CoV-2

Table 2

Selected drug information of current ongoing clinical studies on SARS-CoV-2.

Drug name	Mechanism of action	Indication	DrugBank ID
Remdesivir	RNA polymerase inhibitor	Anti-Ebola passed phase III, COVID-19 phase III	DB14761
Lopinavir	Protease inhibitor	Anti-HIV approved, COVID-19	DB01601
Ritonavir	Protease inhibitor	Anti-HIV approved, COVID-19	DB00503
Emtricitabine	Nucleoside reverse transcriptase inhibitor	Anti-HIV approved, anti-HBV	DB00879
Tenofovir	Nucleoside reverse transcriptase inhibitor	Anti-HIV phase III, anti-HBV	DB14126
Ribavirin	Viral mRNA and protein synthesis inhibitor	Anti-HCV, anti-HBV, anti-SARS, anti-influenza, COVID-19	DB00811
Methylprednisolone	Corticosteroid	COVID-19 phase II, allergic asthma and rheumatic disorders approved	DB00959
Oseltamivir	Neuraminidase inhibitor; sialidase inhibitor	Anti-influenza approved, COVID-19 phase III	DB00198
Danoprevir	Protease inhibitor	Anti-HCV phase III, COVID-19 phase 4	DB11779
Chloroquine	—	Antimalarial approved, anti-HIV phase III, anti-HCV, COVID-19 phase 4	DB14761