Structure activity relationships of azostilbenes with anti-HIV activity (Meeting abstract).

Important note: Information in this article was accurate in 1995. The state of the art may have changed since the publication date.

Structure activity relationships of azostilbenes with anti-HIV activity (Meeting abstract).

Proc Annu Meet Am Assoc Cancer Res; 35:A2008 1994. Unique Identifier : AIDSLINE ICDB/95603694
Zalkow LH; Burgess EM; Gruszecka-Kowalik E; Asibal CF; Qazi SN; Lu H; Haugwitz RD; Georgia Inst. Tech., Atlanta, GA 30332

Abstract: To facilitate the lead-optimization of anti-HIV active azostilbenes, we have developed a QSAR method that correlates chemical structures in a congeneric set with in vitro anti-HIV activities as defined by their EC50s. Congeners are mapped and ranked on the basis of their electron density distribution as specified by the wave functions derived from semiempirical molecular orbital calculations. These rankings based on e-density maps of azostilbenes, (especially those with good anti-HIV activities), correlate well with their observed EC50 values. Furthermore, this method has enabled us to define the minimum structural features of azostilbenes that are needed for anti-HIV activity. These studies have resulted in the identification of two promising leads; NSCs 634748 and 638352.

Keywords: Antiviral Agents/CHEMISTRY/*TOXICITY Azo Compounds/CHEMISTRY/*TOXICITY Comparative Study HIV/*DRUG EFFECTS Molecular Structure Stilbenes/CHEMISTRY/*TOXICITY Structure-Activity Relationship ABSTRACT
950330
M9530852

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