A QSAR study investigating the effect of L-alanine ester variation on the anti-HIV activity of some phosphoramidate derivatives of d4T

M H Knaggs; C McGuigan; S A Harris; P Heshmati; D Cahard; I H Gilbert; J Balzarini

doi:10.1016/s0960-894x(00)00397-8

A QSAR study investigating the effect of L-alanine ester variation on the anti-HIV activity of some phosphoramidate derivatives of d4T

Bioorg Med Chem Lett. 2000 Sep 18;10(18):2075-8. doi: 10.1016/s0960-894x(00)00397-8.

Authors

M H Knaggs¹, C McGuigan, S A Harris, P Heshmati, D Cahard, I H Gilbert, J Balzarini

Affiliation

¹ Welsh School of Pharmacy, Cardiff University, UK.

PMID: 10999474
DOI: 10.1016/s0960-894x(00)00397-8

Abstract

A QSAR study, involving the use of calculated physical properties (TSAR), and the use of a neural network approach (TSAR), has been performed concerning the anti-HIV activity and cytotoxic effects of a series of d4T phosphoramidate derivatives with varying L-alanine esters. Models were obtained which allow reliable predictions for the anti-HIV activity, and cytotoxicity, of these derivatives.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Alanine / chemistry
Amides / chemistry
Anti-HIV Agents / chemistry
Anti-HIV Agents / pharmacology
Cell Death / drug effects*
HIV-1 / drug effects
HIV-1 / growth & development
HIV-2 / drug effects
HIV-2 / growth & development
Models, Chemical
Models, Molecular
Phosphoric Acids / chemistry
Quantitative Structure-Activity Relationship
Stavudine / analogs & derivatives*
Stavudine / chemistry
Stavudine / pharmacology*
Structure-Activity Relationship

Substances

Amides
Anti-HIV Agents
Phosphoric Acids
phosphoramidic acid
Stavudine
Alanine