Fig. 6: Molecular docking of the five highest-scoring compounds to the goitre-related protein targets.

Molecular docking scores and sites of A 2-[(2-Amino-3-phenylpropanoyl) amino]-3-methylbutanoic acid with PI3K, B 13-Methylmyristic acid with PI3K, C 1,11-Undecanedicarboxylic acid with PI3K, D 2,2-Dimethylglutaric acid with PI3K, E 9-Decenoic acid with PI3K, F 2-[(2-Amino-3-phenylpropanoyl) amino]-3-methylbutanoic acid with AKT, G 2-[(2-Amino-3-phenylpropanoyl) amino]-3-methylbutanoic acid with Bcl-2, H 2-[(2-Amino-3-phenylpropanoyl) amino]-3-methylbutanoic acid with mTOR, I 13-Methylmyristic acid with mTOR.