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Literature summary for 2.7.7.48 extracted from

  • Gul, S.; Ozcan, O.; Asar, S.; Okyar, A.; Baris, I.; Kavakli, I.H.
    In silico identification of widely used and well-tolerated drugs as potential SARS-CoV-2 3C-like protease and viral RNA-dependent RNA polymerase inhibitors for direct use in clinical trials (2020), J. Biomol. Struct. Dyn., 39, 6772-6791.
    View publication on PubMedView publication on EuropePMC
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Inhibitors

Inhibitors Comment Organism Structure
conivaptan binds to RNA-dependent RNA polymerase with high affinity Severe acute respiratory syndrome coronavirus 2
eltrombopag binds to RNA-dependent RNA polymerase with high affinity Severe acute respiratory syndrome coronavirus 2
ergotamine binds to RNA-dependent RNA polymerase with high affinity Severe acute respiratory syndrome coronavirus 2
tipranavir binds to RNA-dependent RNA polymerase with high affinity 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
-
 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
RDRP
-
 Severe acute respiratory syndrome coronavirus 2
RNA-dependent RNA polymerase
-
 Severe acute respiratory syndrome coronavirus 2

General Information

General Information Comment Organism
drug target search for drugs that target RNA-dependent RNA polymerase (RdRp) by in silico screening of the U.S. Food and Drug Administration approved drug library. Well-tolerated and widely used drugs are selected for molecular dynamics simulations to evaluate drug-protein interactions and their persistence under physiological conditions. Eltrombopag, tipranavir, ergotamine, and conivaptan bind to the enzyme with high binding free energies Severe acute respiratory syndrome coronavirus 2