title: Effects of fluorine substitution of cytosine analogues on the binding affinity to HIV-1 reverse transcriptase.
abstract: 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.
authors.affiliation: Department of Pharmaceutical and Biomedical Sciences, College of Pharmacy, The University of Georgia, Athens, GA 30602, USA.
authors.forename: Youhoon
authors.initials: Y
authors.lastname: Chong
authors.forename: Hyunah
authors.initials: H
authors.lastname: Choo
authors.forename: Chung K
authors.initials: CK
authors.lastname: Chu
mesh_terms: D001665:Binding Sites; D003596:Cytosine / Q000737:chemistry* / Q000378:metabolism*; D005461:Fluorine / Q000737:chemistry* / Q000378:metabolism*; D054303:HIV Reverse Transcriptase / Q000378:metabolism*
chemical_list: D005461:Fluorine; D003596:Cytosine; D054303:HIV Reverse Transcriptase