Inhibition of Pancreatic Lipase by Flavonoid Derivatives: In Vitro and In Silico Investigations

Figure 7

Ligand stability and its interactions with pancreatic lipase. (a) RMSD values of ligand’s heavy atoms during 100 ns of molecular dynamics simulations. (b) RMSF value of each heavy atoms of the ligand. (c, d) Schematic of protein-ligand interactions analyzed using data from 100 ns MDs trajectory.

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