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Comment
. 2023 Jan;86(1):66-117.
doi: 10.1016/j.jinf.2022.08.006. Epub 2022 Aug 11.

Highly accurate protein structure prediction and drug screen of monkeypox virus proteome

Qiangzhen Yang  1 , Disong Xia  1 , Ali Alamdar Shah Syed  1 , Zhuo Wang  1 , Yongyong Shi  2
Affiliations
Comment

Highly accurate protein structure prediction and drug screen of monkeypox virus proteome

Qiangzhen Yang et al. J Infect. 2023 Jan.
No abstract available

Keywords: AlphaFold2; Drug screen; Monkeypox; Protein structure.

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Conflict of interest statement

Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Figures

Fig 1
Fig. 1
Protein structural analysis and drug screening of the monkeypox virus. (A) The pLDDT values of all 186 monkeypox virus proteins. (B) Comparison between experimental structure (PDB: 4QWO) and AlphaFold2-predicted structure of A42R profiling-like protein. (C) The alignment of experimental structure and AlphaFold2-predicted structure of A42R profiling-like protein. (D) The interactions between Cepharanthine and four monkeypox virus proteins, including I1L (D1), VITF3L (D2), A42R (D3), and E8L (D4). The molecular structures of cepharanthine in different protein complexes are shown in different colors. The green "cartoon" model and the electrostatic surface present the protein structures. Red and blue indicate negative and positive charges on the electrostatic surface. The detailed interactions between amino acids (light blue) and cepharanthine (yellow) are under the four protein structures. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)
See this image and copyright information in PMC

Comment in

Comment on

  • Monkeypox: A new threat at our doorstep!
    Awan UA, Riasat S, Naeem W, Kamran S, Khattak AA, Khan S. Awan UA, et al. J Infect. 2022 Aug;85(2):e47-e48. doi: 10.1016/j.jinf.2022.05.027. Epub 2022 May 29. J Infect. 2022. PMID: 35649489 Free PMC article. No abstract available.

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