Cs-GRP78 recognition site on Dengue virus envelope protein: in silico perspective

Tweetable abstractOur 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. 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 summaryDengue 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.