Table 5 Intermolecular H bonds between shortlisted phytochemicals with 1E3G.

From: Structure Based docking studies towards exploring potential anti-androgen activity of selected phytochemicals against Prostate Cancer

Phytochemicals

Interacting residues

Distance

Isobavachin

Atom (4112 O) in residue (253 no residue name) H bonds with Atom (3350 O) in residue (873 Leu)

2.51 Å

Atom (569 N) in residue (708 Gly) H bonds with Atom (4110 O) in residue (253 no residue name)

2.33 Å

Atom (1294 N) in residue (752 Arg) H bonds with Atom (4110 O) in residue (253 no residue name)

2.99 Å

Atom (4110 O) in residue (253 no residue name) H bonds with (1176 O) in residue (745 Met)

2.60 Å

Glabranin

Atom (569 N) in residue (708 Gly) H bonds with Atom (4110 O) in residue (253 no residue name)

2.99 Å

Atom (4110 O) in residue (253 no residue name) with Atom (622 O) in residue (711 Gln)

2.85 Å

Atom (623 N) in residue (711 Gln) H bonds with Atom (4111 O) in residue (253 no residue name)

2.35 Å

Atom (1294 N) in residue (752 Arg) H bonds with Atom (4111 O) in residue (253 no residue name)

2.74 Å

Atom (4112 O) in residue (253 no residue name) H bonds with Atom (1176 O) in residue (745 Met)

1.96 Å

Atom (1236 N) in residue (749 Met) H bonds with Atom (4112 O) in residue (253 no residue name)

2.72 Å

Anthocyanin

Atom (1735 N) in residue (880 Leu) bonds with Atom (1730 O) in residue (879 Asp)

2.24 Å

Atom (1768 N) in residue (884 Ser) H bonds with Atom (1738 O) in residue (880 Leu)

2.74 Å

Eriosemation

Atom (4111 O) in residue (253 no residue name) H bonds with (3425 O) in residue (877 Thr)

2.99 Å

Atom (4111 O) in residue (253 no residue name) H bonds with Atom (3850 O) in residue (873 Leu)

2.89 Å

Atom (4112 O) in residue (253 no residue name) H bonds with Atom (3350 O) in residue (873 Leu)

2.44 Å

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