Skip to main content

Table 4 Docking features and values for rutin and curcumin

From: Cyclin D1 as a therapeutic target of renal cell carcinoma- a combined transcriptomics, tissue microarray and molecular docking study from the Kingdom of Saudi Arabia

Features RUTIN CURCUMIN
Est. Free energy of binding −4.26 kcal/mol −4.67 kcal/mol
Est. Inhibition Constant, Ki 757.57 μM 380.02 μM
vdW + Hbond + desolv Energy −5.43 kcal/mol −6.37 kcal/mol
Electrostatic energy −0.01 kcal/mol −0.12 kcal/mol
Total intermolecular energy −5.44 kcal/mol −6.49 kcal/mol
Interaction surface 653.668 684.416