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Novel computer simulation method can accelerate COVID-19 drug discovery

Publicado em 13 dezembro 2021
An article reporting the results of the study is published in the Journal of Biomolecular Structure and Dynamics. The authors explain that the outer protein layer of SARS-CoV-2 is rich in the amino acid cysteine, which must be active and intact for the virus to remain viable, and is therefore referred to as its main protease (Mpro). Proteases are enzymes that cleave the peptide bonds between amino acids and proteins and break down polyproteins (protein chains) into smaller proteins, which in [...]