Conformational properties of 3'-azido-3'deoxy-thymidine (AZT), an inhibitor of HIV reverse transcriptase.

Abstract:

:The low-energy conformations of 3'-azido-3'-deoxy-thymidine, (AZT), an inhibitor of retroviral reverse transcriptase, have been studied by molecular mechanics techniques. A force-field has been developed for the azido group by quantum-mechanical methods, and used in the analysis. The global low-energy structure of AZT has C3'-endo sugar pucker, an anti glycosidic angle, and a g+ C4'-C5' conformation. It is concluded that the AZT molecule has conformational properties that are very similar to those of standard deoxypyrimidines.

authors

Herzyk P,Beveridge A,Neidle S

doi

10.1016/0006-291x(87)91587-7

subject

Has Abstract

pub_date

1987-06-30 00:00:00

pages

1356-61

issue

3

eissn

0006-291X

issn

1090-2104

pii

0006-291X(87)91587-7

journal_volume

145

pub_type

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