Fig. 9

Probability density function (PDF) plots of Isokaempferide in complex with (A) 5-LOX, (B) COX-2, and (C) NAD(P)H oxidase. The plots are based on RMSD and radius of gyration (Rg) distributions over the MD simulation. Color gradients represent conformational populations, with red indicating the least populated and blue indicating the most populated structural states.