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Literature summary for 2.7.7.48 extracted from

  • Agoni, C.; Soliman, M.E.S.
    The binding of remdesivir to SARS-CoV-2 RNA-dependent RNA polymerase may pave the way towards the design of potential drugs for COVID-19 treatment (2020), Curr. Pharm. Biotechnol., 22, 1520-1537.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
remdesivir high-affinity and consistent molecular interactions with specific active site residues that anchor remdemsivir within the binding pocket for efficient binding. These residues are Asp452, Thr456, Arg555, Thr556, Val557, Arg624, Thr680, Ser681, and Ser682. Remdesivir binding induces minimal individual amino acid perturbations, subtly interferes with deviations of C-alpha atoms, and restricts the systematic transition of SARS-CoV-2 RNA-dependent RNA polymerase from the buried hydrophobic region to the surface-exposed hydrophilic region. A pharmacophore model based on the observed high-affinity interactions with SARSCoV-2 virus RNA-dependent RNA polymerase is mapped, which showcase the crucial functional moieties of remdesivir and is subsequently employed for virtual screening Severe acute respiratory syndrome coronavirus 2

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
nucleoside triphosphate + RNAn Severe acute respiratory syndrome coronavirus 2
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diphosphate + RNAn+1
-
?

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome coronavirus 2 P0DTD1 replicase polyprotein 1ab; SARS-CoV-2
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
nucleoside triphosphate + RNAn
-
Severe acute respiratory syndrome coronavirus 2 diphosphate + RNAn+1
-
?

Synonyms

Synonyms Comment Organism
RNA-dependent RNA polymerase
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Severe acute respiratory syndrome coronavirus 2