title: A QSAR study investigating the effect of L-alanine ester variation on the anti-HIV activity of some phosphoramidate derivatives of d4T.
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.
authors.affiliation: Welsh School of Pharmacy, Cardiff University, UK.
authors.forename: M H
authors.initials: MH
authors.lastname: Knaggs
authors.forename: C
authors.initials: C
authors.lastname: McGuigan
authors.forename: S A
authors.initials: SA
authors.lastname: Harris
authors.forename: P
authors.initials: P
authors.lastname: Heshmati
authors.forename: D
authors.initials: D
authors.lastname: Cahard
authors.forename: I H
authors.initials: IH
authors.lastname: Gilbert
authors.forename: J
authors.initials: J
authors.lastname: Balzarini
mesh_terms: 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
chemical_list: D000577:Amides; D019380:Anti-HIV Agents; D010756:Phosphoric Acids; C011067:phosphoramidic acid; D018119:Stavudine; D000409:Alanine