Cs-GRP78 Recognition Site on Dengue Virus Envelope Protein: in silico perspective

Abstract

Aim: To understand the binding of the dengue virus (DENV) envelope and the host cell factor, GRP78. Materials & methods: In this study, we simulate the binding of the DENV envelope against GRP78 using structural bioinformatics tools. Results: The sequence similarity of the DENV envelope C3–C30 and C302–C333 regions against the Pep42 cyclic peptide suggest these regions are possible recognition sites for GRP78. C3–C30 has a more similar grand average hydrophobicity index to that of Pep42 and a more negative binding affinity toward GRP78. Conclusion: We predict this region (C3–C30) of the DENV envelope to be the recognition site of GRP78. Further experimental validation will be important to future studies.

Plain language summary

Dengue virus is a tropical virus that causes fever and is spread by mosquitoes. In severe cases, dengue can be fatal, so it is important to find new targets for drugs to be able to fight the virus. In our study, we identify how a protein on the surface of the virus may interact with a protein on the surface of human cells. This could be a potential target for future drug development.

Tweetable abstract

Our docking study reveals the potential of the DENV envelope C302–C333 region to bind to GRP78 effectively. We suggest this region of the DENV envelope to be the recognition site for the host cell-surface GRP78 and suggest it as a promising protein target for drug design.

Keywords::

• DENV envelope
• GRP78
• molecular docking
• protein–protein interaction
• sequence alignment

Supplementary data

To view the supplementary data that accompany this paper please visit the journal website at: www.tandfonline.com/doi/suppl/10.2217/fvl-2022-0192

Author contributions

AA Elfiky – original manuscript drafting, analysis, supervision. A Amr, A Mosaad, AK Mubarak, MA Sayed and KK El-Halwany – calculation, manuscript drafting. All authors approve the final version of the document.

Acknowledgments

The authors thank HM Fahmy for her help and support during the project.

Financial & competing interests disclosure

This work is partly based upon work supported by Science, Technology & Innovation Funding Authority (STDF; grant nos. 44575 and 45696). In addition, the Faculty of Science, Cairo University partially funded this work. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.

No writing assistance was utilized in the production of this manuscript.

Additional information

Funding

This work is partly based upon work supported by Science, Technology & Innovation Funding Authority (STDF; grant nos. 44575 and 45696). In addition, the Faculty of Science, Cairo University partially funded this work. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed. No writing assistance was utilized in the production of this manuscript.