Table 3.

The results of final molecular docking study. Frangulosid and Quercetin-3-glucuronide have more effective interaction with HBV DNA polymerase rather than lamivudine

Compound	Binding energy (kcal/mol)	Inhibition constant or Ki (µM)	Amino acid involved in interaction
Quercetin-3-glucuronide	− 7.13	5.96	Arg376, Ser420, Ala421, Ala422, Phe423, Tyr424, Met506, Met539, Lys603, Lys605, Arg624
Frangulosid	− 7.54	2.97	Asn368, Pro369, His606, Cys607, Phe608, Arg609, Leu611, Pro612, Val613, Asn614, Arg615
Lindleyin acid	− 5.82	53.83	Trp393, Lys395, Phe396, Ala397, Val419, Ala422, Pro512, Leu515, Ala516, Thr519, Ser537, Tyr538, Met539, Val542, Lys603
Lamivudine	− 6.79	6.80	Val362, Phe363, Leu364, Gly439, Ser440, Ser441, Tyr446, Val447, Ala448, Tyr493