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Comment
. 2022 Dec;85(6):702-769.
doi: 10.1016/j.jinf.2022.09.002. Epub 2022 Sep 8.

Repurposing antiviral drugs against the human monkeypox virus DNA-dependent RNA polymerase; in silico perspective

Jameel M Abduljalil  1 , Abdo A Elfiky  2
Affiliations
Comment

Repurposing antiviral drugs against the human monkeypox virus DNA-dependent RNA polymerase; in silico perspective

Jameel M Abduljalil et al. J Infect. 2022 Dec.
No abstract available

Keywords: DdRp; Drug repurposing; Homology modeling; Human monkeypox virus (HMV); Molecular dynamics simulation.

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Conflict of interest statement

Declaration of Competing Interest We declare that there is no conflict of interest regarding this paper's work or publication.

Figures

Fig 1
Fig. 1
(A) Average calculated binding energies of the top six drugs along with the physiological substrates (ribonucleotides; ATP, CTP, GTP, and UTP). Error bars represent the standard deviation of binding affinity (kcal/mol) of three clusters of representative protein conformations after MD simulation. (B) Established interactions after docking the top compounds against DdRp of HMV. (1) HCV-1, (2) HCV-2, (3) Valopicitabine, (4) Norov-29, (5) Bemnifosbuvir, and (6) GTP.
Fig 2
Fig. 2
The calculated MM/GBSA for the positive control (GTP) and the best four ligands (HCV-1, HCV-2, Norov-29, and bemnifosbuvir)-HMV DdRp.
See this image and copyright information in PMC

Comment on

  • Monkeypox outbreak in Madrid (Spain): Clinical and virological aspects.
    Orviz E, Negredo A, Ayerdi O, Vázquez A, Muñoz-Gomez A, Monzón S, Clavo P, Zaballos A, Vera M, Sánchez P, Cabello N, Jiménez P, Pérez-García JA, Varona S, Del Romero J, Cuesta I, Delgado-Iribarren A, Torres M, Sagastagoitia I, Palacios G, Estrada V, Sánchez-Seco MP; Grupo Viruela del Simio Madrid CNM/ISCIII/HCSC/Sandoval. Orviz E, et al. J Infect. 2022 Oct;85(4):412-417. doi: 10.1016/j.jinf.2022.07.005. Epub 2022 Jul 10. J Infect. 2022. PMID: 35830908 Free PMC article.

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