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. 2020 Oct 19:1–17. doi: 10.1080/07391102.2020.1832577

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Figure 1. — 3D structural views of ligand-binding site. The 3D structures display H-bond interactions (green dashed lines) of ligands (a) amarogentin (b) eufoliatorin, (c) ἀ-amyrin, (d) caesalpinins, (e) kutkin, (f) β-sitosterol, and (g) belladonnine and (h) represent the color intensity of hydrogen bonds with the Spike glycoprotein of SARS-CoV-2 (6VXX). The i, j, k, l, m, n, o demonstrated the 2D structural views of ligand-binding site of amarogentin, eufoliatorin, ἀ-amyrin, caesalpinins, kutkin, β-sitosterol, belladonnine and p represents the H-bonding (dark green circles associated with the green dashed lines); van der Waals forces (medium light green circles); carbon-oxygen dipole-dipole interaction (light green circles with dashed lines); alkyl-pi interactions (light pink circles with dashed lines); T-shaped pi-pi stacking and (parallel) pi-pi stacking (both indicated with dark violet circles); cation-pi interaction (orange circle). The blue halo surrounding the interacting residues represents the solvent accessible surface that is proportional to its diameter. Images were generated using Discovery Studio Visualizer 4.5.