Effects of fluorine substitution of cytosine analogues on the binding affinity to HIV-1 reverse transcriptase

In order to find out the possible role of fluorine substituent in binding of the fluorinated cytidine analogues at the active site of HIV-1 RT, binding modes of several 5-fluoro cytidine analogues, such as FTC, d-dioxolane 5-FC and d-2′F-d4FC to the active site of HIV-1 reverse transcriptase, were compared by molecular dynamics studies.