Fig. 7 | Scientific Reports

Fig. 7

From: Unlocking the potential of phytochemicals in inhibiting SARS-CoV-2 MPro protein - an in silico and cell-based approach

Fig. 7

Interaction energy heatmaps between MPro residues and top ten phytochemicals. (A) Van der Waals interaction energies (green scale) and (B) Coulombic interaction energies (red scale). Values shown are in kcal/mol, with more negative values (darker colors) indicating stronger interactions. Several residues, including His41, Gly143, and Glu166, form strong interactions with multiple phytochemicals.

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