Table 4. Binding energy and hydrogen bonds of viral RT to ETV-TP.
HBV strains | Binding energy (ΔG: kcal/mol) | N–H:O bonds | O–H:O bonds | pi-cation interactions |
---|---|---|---|---|
wild-type | −5.26 | 2 | 1 | 1 |
rtL180M+M204V | −4.97 | 0 | 2 | 0 |
rtL180M+A181C+M204V | −4.56 | 3 | 0 | 0 |
rtL180M+A181C+S202G+M204V | −4.37 | 2 | 0 | 0 |
rtL180M+A181C+M204V+M250V | −4.37 | 2 | 0 | 0 |
Note: RT: reverse transcriptase; ETV-TP: entecavir triphosphate.