2.4. Molecular docking
Glycosylated IAA was used to verify the carbohydrate binding
properties of the ConMeIAA/indole structure. Molecular docking
was performed with HEX 6.3 version Molecular Graphics Program.
The Hex is a fast molecular docking program for calculating and
displaying interactions and feasible docking modes of pairs of
protein and DNA molecules. It can superpose pairs of molecules
using only knowledge of their 3D shapes and calculate proteine
ligand interactions using spherical polar Fourier (SPF) correlations
to accelerate the docking calculations [55].