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. 2021 Jan 19;7:599079. doi: 10.3389/fmolb.2020.599079

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Copyright © 2021 Teli, Shah and Chhabria.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Docking interactions of compounds (52, 14, 19: A–F) in the active sites of Spike RBD. (A,C,E) 3D-binding mode of compounds 52, 14, and 19 with Spike RBD active site, respectively. Ligands are shown as green sticks, Spike RBD residues are shown as atom type color sticks, hydrogen bonds formed between ligands and receptor are depicted as yellow dotted lines, π-π stacking interaction as green dotted lines and π-cation interaction as red dotted lines. (B,D,F) 2D-ligand interaction diagram of compounds 52, 14, and 19 with Spike RBD active site, respectively.