Figure 2.

Plausible interaction profiles of the synthesized 2,3-dihydrofuro [3,2-c] coumarin (DHFC) derivatives (14 and 4) with HSA. Left panels of (A,B) represent the molecular docking of 14 and 4 with has, respectively. The middle panels of (A,B) show the two-dimensional representations of amino acid interaction profiles of the docked ligands 14 and 4, respectively. The right panels of each figure represent the rmsd profiles of protein–ligand complexes vs that of the free protein, throughout the entire MDs simulation time period (30 ns) to assess the stability of the protein–ligand complexes.