Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer

Table 4

Comprehensive intermolecular interactions between the protein and the highest molecular dock scored compounds.

Name	Hydrogen bond interactions <3 Å	π-bonds	Alkyl/π-alkyl	Van der Waals interactions
Exemestane	Arg115:HH11-O1 (2.7)	—	Ile133, Val370, Val373	Phe134, Ile305, Ala306, Asp309, Thr310, Leu372, Leu477
	Met374:HN-O (1.9)
Letrozole	Arg115:HH11-N5 (2.9)	Arg115	Ile133, Val370	Phe134, Phe221, Trp224, Asp309, Thr310, Val369, Leu372, Val373
	Met374:HN-N5 (2.0)
Curcumin	Thr310:HG1-O6 (1.9)	Arg115	Val370	Ile133,Phe134,Phe221, Trp224, Ile305, Ala306, Asp309, Leu372, Val373
	Met374:HN-O1 (2.9)
	Leu477:O-H41 (2.5)
Capsaicin	Leu372:O -H46 (2.3)	—	Trp224,Val370	Arg115, Ile133, Phe134,Phe221, Ala306, Ile305, Thr310, Val369, Val373, Leu477, Ser478
	Met374:HN-O3 (2.7)
Rosmarinic acid	Arg115:HH11-O7 (2.4)	—	Val370	Phe134, Phe221, Trp224, Ile305, Ala306, Asp309, Thr310, Val369, Leu372, Val373, Ser478
	Glu302:O-H38 (2.7)
	Met374:HN-O8 (2.2)
	Leu477:O-H40 (2.7)
6-Shogaol	Arg115:NH1-O2 (2.7)	—	Ile133, Phe221, Val370	Phe134, Trp224, Ile305, Ala306, Asp309, Val373, Leu372, Leu477, Ser478
	Met374:N-O2 (2.9)