Table 4 Residual amino acid interactions (H-bond, metal acceptor and hydrophobic).

From: Citronellol silver nanoconjugates as a therapeutic strategy for glioblastoma through computational and experimental evaluation

Target Protein p53

Ligands

SMILES

Docking Scores (kcal/mol)

H-Bonds

Metal-Bonds

Hydrophobic

Citronellol

CC(CCC = C(C)C)CCO

-4.6

-

-

V147, P223, P151, P222, W146

CN@AgNPs

C[C@@]([H])(CC/C = C(/C)C)CCO[Ag]

-4.9

-

C220

V147, P223, P222, W146, C220, L145

Temozolomide

CN1C(= O)N2C = NC(= C2N = N1)C(= O)N

-5.5

2

-

V147, P223, P222, C220, P151,

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