Biological Activity of Selected Compounds from Annona muricata Seed as Antibreast Cancer Agents: Theoretical Study

Table 3

Scoring of selected compounds in Annona muricata seed with 3α-HSD.

	Binding affinity (kcal/mol)	Amino acid residue
A	−7.0	PRO-226, TRP-227, ALA-27, GLU-224, LEU-306, TYR-24, HIS-222, HIS-117, LYS-270
B	−7.3	LYS-270, LEU-268, GLY-22, THR-23, ASP-50, TYR-55, GLN-190, TYR-24, VAL-54, VAL 128
C	−7.5	LYS-270, HIS-222, SER-217, ASP-50, TYR-55, HIS-117, TRP-227, TYR-24, ALA-27
D	−7.1	PRO-226, TRP-227, LEU-308, LEU-306, TYR-55, TYR-24, HIS-222, LYS-270
E	−7.2	THR-23, TYR-65, TYR-24, TRP-227
5FU	−5.6	TYR-55, ASP-50, THR-23, TYR-24, GLY-22