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Structure-activity relationship, derived from

In keeping with this method, several approaches have been developed to document methods and dose-response relationships for irritation in humans. This work suggests that, at least for nonreactive compounds such esters, aldehydes, ketones, alcohols, carboxylic acids, aromatic hydrocarbons, and pyridine, the percentage of vapor pressure saturation of a compound is a reasonable predictor of its irritant potency. Specific physical properties of molecules predict overall irritation potential. This work is based on the identification of irritant thresholds for homologous series of specific agents. Quantitative structure-activity relationships derived from such work suggests a reasonable model to explain mucosal irritation. [Pg.2400]

A First Set of Structure-Activity Relationships Derived from the Structures of... [Pg.208]

Further information on the structure-activity relationships come from data on synthetic and natural 3-alkoxy-l,2-dioxene and 3-alkoxy-1,2-dioxane (both peroxyketals) derivatives that were shown to possess a very good antimalarial activity. In this class of molecules, the alkoxy... [Pg.195]

Structure activity relationships, i.e., the total pattern of change in a biological activity as a function of chemical structure, typically derived from a comparison within a chemical series so that the biological effects of substitution at each structural position may be determined and correlated. [Pg.1107]

Flohr S, Kurz M, Kostenis E, Brkovich A, Fournier A, Klabunde T. Identification of nonpeptidic urotensin II receptor antagonists by virtual screening based on a pharmacophore model derived from structure-activity relationships and nuclear magnetic resonance studies on urotensin II. J Med Ghent 2002 45 1799-805. [Pg.418]

Suzuki et al. [52] synthesized a series of isoaurostatin derivatives (VIII) and evaluated their inhibitory activities as well as structure-activity relationships against topo I and II. They predicted from their results that the addition of hydroxyl groups on aromatic rings increases the activity. From the in-... [Pg.53]

Numerous patents have appeared describing derivatives of 5 and 6 as potential PAMOR antagonists. With the exception of 5 and 6, there are no peer-reviewed publications on structure-activity relationships, in vivo activity, or other preclinical data for the new agents. As viewed from the patent literature, introduction of polar substitutents into the morphinan scaffold is the preferred peripheralization strategy. [Pg.150]

Based on the foregoing discussion, it is possible to formulate some structure-activity relationships with respect to the behavioral properties of various trypt-amine derivatives. It should be noted that these structure-activity relationships are derived from the results of both human and animal studies. [Pg.70]

Methoxy-N,N-dimethyltryptamine (O-methylbufotenine 59) is hallucinogenic in man at a parenteral dose of approximately 6 mg (204). Numerous animal studies have shown that 5-OMeDMT is behaviorally quite active (16,65-67,71,178,184). This compound also produced limb-flick behavior in cats (119) and the serotonin syndrome in rats (209). Glennon et al. (85) demonstrated that 5-OMeDMT serves as a discriminative stimulus in rats and have employed rats trained to discriminate 5-OMeDMT from saline to investigate the structure-activity relationships of various substituted N,N-dialkyltryptamine derivatives. The results of these studies have recently been reviewed (84). [Pg.192]


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Derivative Structure

Structural derivation

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