In Silico Screening of Marine Compounds as an Emerging and Promising Approach against Estrogen Receptor Alpha-Positive Breast Cancer

Table 1

BEs, RMSD, and key interacting amino acid residues (H binding and hydrophobic binding).

No.	Binding energy; (kcal/mol)	RMSD; (Å)	Interacting residues
			HB interactions	Hydrophobic interactions
1	-10.2389	0.95	Arg394, Leu87	His524 (), Met343(-S), Leu391 ()
2	-9.8315	1.33	Thr347, Glu419	Met343 ()
3	-9.5103	0.79	Arg394, Cys530	Leu391 ()
4	-10.5086	1.075	Met343, Arg394, Val534	Met343 (-S), Met421 (-S)
5	-9.8805	1.33	Thr347, Asp351	Met343 (-S)
6	-9.5830	0.92	Leu387, Arg394, Met421	Leu391 ()
7	-9.5440	1.146	Glu353, Arg394, Cys530	—