Exploring the Therapeutic Ability of Fenugreek against Type 2 Diabetes and Breast Cancer Employing Molecular Docking and Molecular Dynamics Simulations

Table 4

The molecular interactions between the compounds and the protein.

S. no.	Compound	Ligand Atom	Amino acid	Amino acid atom	Bond length (Å)	Hydrophobic interactions
1	anastrozole	N5	Met374	HN	2.9	Ile133,Asp309,Val370, Leu372, Val373,Pro429,Phe430,Cys437,Leu 477
2	galactomannan	O13	Arg115	HH22	2.8	Ala306, Asp309, Phe430.
		O15	Arg115	HH21	2.5
		H62	Ile132	O	2.6
		O14	Arg145	HH11	2.0
		H57	Asp309	OD2	2.8
		H53	Met374	O	2.5
		H63	Cys437	SG	2.5