PROTEIN-NUCLEIC ACID INTERFACE (PNAI) INHIBITOR DRUG MOLECULES FOR SARS-COV-2
2020
In this research we used the structure of SARS-CoV-2
related, recently mapped, atomic
structure of nsp10/16 proteins for docking with some known drug molecular
structures at pH 7 and 5. Chosen
molecules were azo -N=N- and -COOH derivatives. It was revealed that the molecules
showed good binding energy with nsp10/16
protein at both pH. These molecules can act as protein-nucleic acid
interface (PNAI) inhibitor drug molecules. Such molecules can be used in
combination with polymerase and protease inhibitors for treatment of SARS-CoV-2.
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