Molecular modelling studies on the binding of some protides to the putative human phosphoramidase Hint1
C Congiatu1, A Brancale, C McGuigan
1Welsh School of Pharmacy, Cardiff University, Cardiff, United Kingdom. sphcc3@cf.ac.uk
Nucleosides, Nucleotides & Nucleic Acids
|December 7, 2007
Abstract:
The aim of the present work is to investigate through molecular modelling the possible role of the human enzyme Hint1 in the final P-N bond cleavage of phosphoramidate ProTides, which would lead to the intracellular delivery of unmasked nucleoside analogue monophosphates. Herein, we report our preliminary analysis based on docking studies of (E)-5-(2-bromovinyl)-2'-deoxyuridine (BVdU) related aminoacyl phosphates with Hint1 and the effect of the amino acid moiety on the enzyme-substrate binding affinity.
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