Fig. 3.

Nelarabine binding to nucleocapsid (N) protein of SARS-CoV2. (A) The surface is coloured by the charge on the amino acids. The red, white and blue surface area depict negative, neutral and positive surface respectively. Nelarabine binds in a predominantly positive area at the nucleocapsid homodimer interface. (B) Nelarabine docked in five MD snapshots of N-protein (average docking score −8.73). (C) Ligand-protein interaction showing nelarabine makes multiple hydrogen bond interactions with N-protein. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)