Table 2 The S-score, binding energy, and the specific amino acids involved in the interaction between 4-farnesyloxycoumarin and the proteins Snail1, focal adhesion kinase, and GTPase KRas.

From: Targeted pancreatic cancer therapy using 4-farnesyloxycoumarin conjugated nanocrystalline cellulose and Chitosan nanoparticles

PDB ID

Complex protein-ligand

S-score

E-conformation

E-refine

Amino Acids Bonds

3w5k

Snail1-4-farnesyloxycoumarin

− 6.85

− 31.46

− 27.54

Glu565

3BZ3

Focal Adhesion Kinase-4-farnesyloxycoumarin

− 6.96

− 38.01

− 36.69

Arg426

4EPV

GTPase KRas-4-farnesyloxycoumarin

− 7.91

− 44.94

− 47.56

Ser17, Gly15, Lys16

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