TABLE 4.

Molecular docking scores and the corresponding prominent residual amino acid interactions of the complexes against estrogen receptor alpha (ERα; PDB: 5G4).

Cpds	Rmsd	Binding energy (kcal/mol)	Inhibition constant (K i) (µM)	H-bonding	van der Waals	π–alkyl/π–ion
Cr1	1.14	−6.83	9.93	-	Phe 445, Gly 390, Ile 386, Leu 387, Trp 360, and Asn 359	Met 357, His 356, Arg 363, Lys 449, Arg 394, and Glu 323
Cr2	1.35	−6.26	22.99	-	Phe 445, Gly 390, Ile 386, Leu 387, Trp 360, and Asn 359	Arg 390, Lys 449, Glu 357, Arg 363, His 356, and Met 357
Cisplatin	0.39	−6.32	23.42	Ser 468 and Asp 374	Lys 467	Thr 371 and Glu 471