3D SARS-CoVID-2-Human Interactome:
To facilitate broader exploration of how pathogen–host interactions might impact transmission and virulence in the ongoing COVID-19 pandemic, we performed state-of-the-art interface prediction followed by molecular docking to construct a three-dimensional structural interactome between SARS-CoV-2 and human. We additionally carried out downstream meta-analyses to investigate enrichment of sequence divergence between SARS-CoV-1 and SARS-CoV-2 or human population variants along viral–human protein-interaction interfaces, predict changes in binding affinity by these mutations/variants and further prioritize drug repurposing candidates predicted to competitively bind human targets.
Related paper: Wierbowski, S.D., Liang, S., Liu, Y. et al. A 3D structural SARS-CoV-2–human interactome to explore genetic and drug perturbations
Nature Methods 2022.