Structure and conformational analysis of the anti-HIV reverse transcriptase inhibitor AZT using MP2 and DFT methods. Differences with the natural nucleoside thymidine. Simulation of the 1st phosphorylation step with ATP-Reference-Cited by-同舟云学术

Structure and conformational analysis of the anti-HIV reverse transcriptase inhibitor AZT using MP2 and DFT methods. Differences with the natural nucleoside thymidine. Simulation of the 1st phosphorylation step with ATP

Published:2014 Issue:45 Volume:16 Page:24763-24783
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Palafox M. Alcolea¹²³⁴

Affiliation:

1. Chemical Physics Department

2. Chemistry Faculty

3. Complutense University

4. Madrid-28040, Spain

Abstract

A proton-transfer mechanism is proposed for the first phosphorylation step of the nucleoside HIV-1 reverse transcriptase inhibitor AZT (3′-azido-3′ deoxythymidine) by interacting with ATP.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP03695F

Reference116 articles.

1. 5′-Aminocarbonyl Phosphonates as New Zidovudine Depot Forms: Antiviral Properties, Intracellular Transformations, and Pharmacokinetic Parameters

2. Anti-HIV drugs: 25 compounds approved within 25 years after the discovery of HIV

3. Cancer and Aids: New Trends in Drug Design and Chemotherapy

4. Antiviral drugs: current state of the art

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