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. 2024 Dec;13(1):2373309.
doi: 10.1080/22221751.2024.2373309. Epub 2024 Jul 15.

Identification of the VP37 pocket of monkeypox virus as a promising target for pan-orthopoxvirus inhibitors through virtual screening and antiviral assays

Shuting Huo  1 , Leyun Wu  2 , Baoying Huang  1 , Nan Liu  3 , Jiewei Sun  4 , Fei Ye  1 , Yao Deng  1 , Jing Chen  3 , Likun Gong  3 , Weiliang Zhu  2 , Zhijian Xu  2 , Wenjie Tan  1
Affiliations

Identification of the VP37 pocket of monkeypox virus as a promising target for pan-orthopoxvirus inhibitors through virtual screening and antiviral assays

Shuting Huo et al. Emerg Microbes Infect. 2024 Dec.
No abstract available

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Conflict of interest statement

No potential conflict of interest was reported by the author(s).

Figures

Figure 1.
Figure 1.
In Vitro Antiviral Effect of Three Compounds against Orthopoxviruses. (A) Schematic of the experimental procedure. (B) Preliminary screening of compounds with antiviral activity at 20 or 2 μM concentration based on Vero cells infected with VACV-Fluc. X-axis = number of compounds, y-axis = inhibition rate. (C) EC50 values of the five compounds against VACV-Fluc determined using Luciferase Reporter Assay. (D) EC50 values of the five compounds against VACV-Fluc determined using real-time PCR and plaque assay. (E) EC50 values of the five compounds against ECTV determined using real-time PCR and plaque assay. (F) EC50 values of the five compounds against MPXV determined using real-time PCR and plaque assay, respectively. (D, E, F) Blue lines represent dose response curve of real-time PCR, and red lines represent dose response curves of plaque assay. (G) Molecular docking of gs23 or DRN804 with MPXV VP37 protein. Residues of VP37 are shown as sticks in gray, while gs23 is shown as sticks in magenta. Rupatadine is shown as sticks in blue. (H) Surface plasmon resonance analysis of the binding of gs23, DRN7 and DRN804 to monkeypox virus VP37 protein.
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Grants and funding

This work was supported by the National Key Research and Development Program of China [2022YFC2304100, 2023YFD1800405, 2022YFC2303401] and the National Natural Science Foundation of China [82322067].

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