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Literature summary extracted from

  • Parvez, M.S.A.; Karim, M.A.; Hasan, M.; Jaman, J.; Karim, Z.; Tahsin, T.; Hasan, M.N.; Hosen, M.J.
    Prediction of potential inhibitors for RNA-dependent RNA polymerase of SARS-CoV-2 using comprehensive drug repurposing and molecular docking approach (2020), Int. J. Biol. Macromol., 163, 1787-1797 .
    View publication on PubMedView publication on EuropePMC

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.7.48 nucleoside triphosphate + RNAn Severe acute respiratory syndrome coronavirus 2 the enzyme plays a crucial role in SARS-CoV-2 replication diphosphate + RNAn+1
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Organism

EC Number Organism UniProt Comment Textmining
2.7.7.48 Severe acute respiratory syndrome coronavirus 2 P0DTD1 replicase polyprotein 1ab; SARS-CoV-2
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Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.7.48 nucleoside triphosphate + RNAn
-
 Severe acute respiratory syndrome coronavirus 2 diphosphate + RNAn+1
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 ?
2.7.7.48 nucleoside triphosphate + RNAn the enzyme plays a crucial role in SARS-CoV-2 replication Severe acute respiratory syndrome coronavirus 2 diphosphate + RNAn+1
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 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.7.48 RDRP
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 Severe acute respiratory syndrome coronavirus 2
2.7.7.48 RNA-dependent RNA polymerase
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 Severe acute respiratory syndrome coronavirus 2

General Information

EC Number General Information Comment Organism
2.7.7.48 drug target the enzyme plays a crucial role in SARS-CoV-2 replication, and thus could be a potential drug target. Comprehensive computational approaches including drug repurposing and molecular docking are employed to predict an effective drug candidate targeting RdRp of SARS-CoV-2. This study reveales that Rifabutin, Rifapentine, Fidaxomicin, 7-methyl-guanosine-5'-triphosphate-5'-guanosine and Ivermectin have a potential inhibitory interaction with RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 and could be effective drugs for COVID-19. Virtual screening of the compounds from ZINC database allow the prediction of two compounds (ZINC09128258 and ZINC09883305) with pharmacophore features that interact effectively with RdRp of SARSCoV-2, indicating their potentiality as effective inhibitors of the enzyme. Comparative structural analysis of protein-inhibitor complexes reveals that the amino acids Y32, K47, Y122, Y129, H133, N138, D140, T141, S709 and N781 are crucial for drug surface hotspot in the RdRp of SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2
2.7.7.48 physiological function the enzyme plays a crucial role in SARS-CoV-2 replication Severe acute respiratory syndrome coronavirus 2