Nonlinear molecular dynamics of quercetin in Gynocardia odorata and Diospyros malabarica fruits: Its mechanistic role in hepatoprotection
Fig 5
MMGBSA trajectory (0 ns, before simulation and 100 ns, after simulation) exhibited conformational changes of quercetin upon bidning with the proteins (A) BCL-2, (B) JAK2 and (C) Cyp2E1. The arrows indicating the overall positional variation (movement and pose) of quercetin at the bidning site cavity.