DFT Calculations and Molecular Docking Studies on a Chromene Derivative

Table 6

Docking energies (in kcal.mol⁻¹) of the compound Chrom-D against AChE enzymes.

Complex	Total energy	VdW energy	H-bonding energy	Binding affinity
1B41-Chrom-D	−123.0	−109.3	−13.7	−8.3
1EVE-Chrom-D	−116.2	−104.8	−11.4	−11.1
1BDT-Chrom-D	−115.1	−104.5	−10.6	−7.8