Table 2.

Global number of contacts and free binding energy values, expressed in kcal/mol, of the reference berberine derivative complexed to 3R6R (h-telo) and 2L7V (c-myc) models, obtained with the Glide SP approach. HB and GC indicate, respectively, the hydrogen bonds and the good contacts established by the ligand.

h-telo				c-myc
HB	GC	G-Score	MM-GBSA	HB	GC	G-Score	MM-GBSA
2	148	−6.20	−33.04	4	331	−8.11	−45.42