Research Article

Structural Dynamics of P-Rex1 Complexed with Natural Leads Establishes the Protein as an Attractive Target for Therapeutics to Suppress Cancer Metastasis

Table 1

GOLD fitness score and binding energy of the two hits and control.

HitCompound 3D structureGold fitness scoreAutoDock Vina binding energy in kcal/mol

Top-182.5-12.8

Top-282.1-12.6

Control75.14-11.7