A QSAR study investigating the effect of L-alanine ester variation on the anti-HIV activity of some phosphoramidate derivatives of d4T.
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.
Knaggs
M H
MH
Welsh School of Pharmacy, Cardiff University, UK.
McGuigan
C
C
Harris
S A
SA
Heshmati
P
P
Cahard
D
D
Gilbert
I H
IH
Balzarini
J
J
D000409:Alanine / Q000737:chemistry; D000577:Amides / Q000737:chemistry; D019380:Anti-HIV Agents / Q000737:chemistry / Q000494:pharmacology; D016923:Cell Death / Q000187:drug effects*; D015497:HIV-1 / Q000187:drug effects / Q000254:growth & development; D015498:HIV-2 / Q000187:drug effects / Q000254:growth & development; D008956:Models, Chemical; D008958:Models, Molecular; D010756:Phosphoric Acids / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D018119:Stavudine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
D000577:Amides; D019380:Anti-HIV Agents; D010756:Phosphoric Acids; C011067:phosphoramidic acid; D018119:Stavudine; D000409:Alanine