Table 5 Docking results of most active anticancer compounds (d6 and d7) with standard drug
Compounds | Docking score | Glide energy (kcal/mol) | Interactive amino acid residues |
|---|---|---|---|
d6 | − 7.353 | − 50.355 | Met343, Leu346, Thr347, Leu349, Ala350, Glu353, Arg394, Leu391, Met388, Leu387, Trp383, Gly521 |
d7 | − 6.081 | − 49.986 | Met343, Leu346, Thr347, Ala350, Asp351, Leu354, Val533, Val534 |
5-Fluorouracil | − 3.414 | − 24.58 | Glu353, Ala350, Leu349, Leu346, Leu348, Leu387, Met388, Phe404, Leu391, Arg394 |