Understanding the unique mechanism of -FMAU (Clevudine) against hepatitis B virus: molecular dynamics studies

The molecular dynamics simulation of HBV-polymerase•DNA• -FMAU-TP complex demonstrated that -FMAU-TP may not serve as a substrate for HBV polymerase because the appropriate binding of -FMAU-TP to the active site of HBV polymerase may not take place without the unfavorable conformational adjustment, which prevents -FMAU-TP from being incorporated into the growing viral DNA chain.