Decoding the Cross-Immune Pressure: Dengue’s Role in SARS-CoV-2 Evolution in Dengue Endemic Regions

In silico docking study was performed on mutated SARS-CoV-2 spike proteins with four dengue virus (DV) serotype 2 envelope antibodies (Abs) and one SARS-CoV-2 MAb using two FFT based global docking serves, HDOCK and Cluspro. The folder named "Docking structure files" contains HDOCK and CLUSPRO raw and analyzed files on docking simulations. Another folder contains excel sheets summarizing the docking analysis.

Wild-type SARS-CoV-2 spike protein FASTA sequence was collected from NCBI (MN908947.3). Mutations in the FASTA sequence were generated manually according to reported major mutations characteristic of each SARS-CoV-2 variant. Thereafter, I-TASSER server was applied to construct structural models of each mutated spike variant. One folder contains the ITASSER structure files.