Molecular design and synthesis of inhibitors of the main protease of the coronavirus SARS-CoV-2 Mpro

The current worldwide outbreak of the coronavirus with a pandemic declared by the World Health Organization (WHO) is beginning to strike in Brazilian lands. This pandemic urged us to start an emergency project in the search for new proteases inhibitors of the main coronavirus protease (SARS Cov-2 Mpro) as antiviral agents acting on the coronavirus. Several cysteine ​​protease inhibitors (CPs) under development in our group have 60-70% similarity in the coronavirus SARS 3C protease (CHEMBL3927), directly in the SARS coronavirus (CHEMBL612575) and also in feline coronavirus (CHEMBL612744). Mostly, our inhibitors are similar to the new SARS Cov-2 Mpro inhibitors. That way, we will initially test the entire NEQUIMED / IQSC / USP database in phenotypic assays to be carried out at the Institute of Biomedical Sciences, ICB / USP. Concomitantly, we will modify the structures of our PC inhibitors to improve the percentage of similarity to the best known inhibitors and for which we will seek evidence of action on the coronavirus disseminated in Brazil. In addition, we will immediately employ our artificial intelligence tools with machine learning to select test candidates from the drugs currently in therapy, experimental and investigational drugs and those drug candidates that are in clinical stages. (AU) we will modify the structures of our CP inhibitors to improve the percentage of similarity to the best known inhibitors and for which we will seek evidence of action on the coronavirus disseminated in Brazil. In addition, we will immediately employ our artificial intelligence tools with machine learning to select test candidates from the drugs currently in therapy, experimental and investigational drugs and those drug candidates that are in clinical stages. (AU) we will modify the structures of our CP inhibitors to improve the percentage of similarity to the best known inhibitors and for which we will seek evidence of action on the coronavirus disseminated in Brazil. In addition, we will immediately employ our artificial intelligence tools with machine learning to select test candidates from the drugs currently in therapy, experimental and investigational drugs and those drug candidates that are in clinical stages. (AU) employ our artificial intelligence tools with machine learning to select test candidates from the drugs currently in therapy, experimental and investigational drugs and those drug candidates that are in clinical stages. (AU) employ our artificial intelligence tools with machine learning to select test candidates from the drugs currently in therapy, experimental and investigational drugs and those drug candidates that are in clinical stages. (AU)