Differential binding of tenofovir and adefovir to reverse transcriptase of hepatitis B virus.

ABSTRACT:

Introduction

Resistance of the reverse transcriptase (RT) of hepatitis B virus (HBV) to the tenofovir nucleotide drug has not been observed since its introduction for treatment of hepatitis B virus (HBV) infection in 2008. In contrast, frequent viral breakthrough and resistance has been documented for adefovir. Our computational study addresses an inventory of the structural differences between these two nucleotide analogues and their binding sites and affinities to wildtype (wt) and mutant RT enzyme structures based on in silico modeling, in comparison with the natural nucleotide substrates.

Results

Tenofovir and adefovir only differ by an extra CH3-moiety in tenofovir, introducing a center of chirality at the carbon atom linking the purine group with the phosphates. (R)-Te

SUBMITTER: van Hemert FJ 

PROVIDER: S-EPMC4152281 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature