title: Development of structure-activity relationships (SARs) in allergic contact dermatitis.
abstract: One of the major objectives at the end of this century is the development of "alternative" tests for the evaluation of the pharmacological and/or toxicological activity of newly developed molecules. Contact allergy is no exception to the rule and many research programs have been started to develop in vitro techniques for the detection of allergizing compounds. In parallel with these biological studies, another approach is becoming important and will no doubt become more so, namely, the study of structure activity relationships (SARs). This consists of using molecular or physicochemical properties to predict and, in certain cases, quantify the allergizing potential of a new molecule without using any biological test. Three main approaches are currently under study: the creation of allergy databases, the design of "expert" computerized systems, and the development of quantitative SARs. These three often complementary approaches are still at the development stage, but we can begin to see their potential and limitations. The aim of this article is not to give an exhaustive description of all the systems developed worldwide, but to illustrate each approach by giving some important examples.
authors: Laboratoire de Dermatochimie associé au CNRS, UMR 7509, Université Louis Pasteur, Clinique Dermatologique, CHU, Strasbourg, France. jplepoit@chimie.u-strasbg.fr
authors: J P
authors: JP
authors: Lepoittevin
mesh_terms: D000485:Allergens / Q000009:adverse effects / Q000737:chemistry* / Q000276:immunology; D000596:Amino Acids / Q000737:chemistry; D016208:Databases, Factual; D017449:Dermatitis, Allergic Contact / Q000209:etiology*; D005103:Expert Systems; D006241:Haptens / Q000737:chemistry; D008956:Models, Chemical; D009716:Numerical Analysis, Computer-Assisted; D013329:Structure-Activity Relationship
chemical_list: D000485:Allergens; D000596:Amino Acids; D006241:Haptens