title: New bronchodilators selected by molecular topology.
abstract: Molecular topology has been applied to find new lead compounds with bronchodilator activity. Among the selected compounds stands out 3-(1H-tetrazol-5yl)-9H-thioxanthene-9 -one-10,10-dioxide, anthrarobin, 9-oxo-9H-thioxantene-3-carboxylic-10,10-dioxide acid, acenocoumarol and griseofulvin, with a percentage of relaxation, at 0.1 mM, of 91, 92, 85, 69, and 74%, respectively. Theophylline shows a correspondent value of 77% (Emax = 100% at 1 mM).
authors.affiliation: Unidad de Investigación de Diseño de Fármacos, Facultad de Farmacia, Universitat de Valencia, Burjassot, Spain.
authors.forename: I
authors.initials: I
authors.lastname: Ríos-Santamarina
authors.forename: R
authors.initials: R
authors.lastname: García-Domenech
authors.forename: J
authors.initials: J
authors.lastname: Gálvez
authors.forename: J
authors.initials: J
authors.lastname: Cortijo
authors.forename: P
authors.initials: P
authors.lastname: Santamaria
authors.forename: E
authors.initials: E
authors.lastname: Morcillo
mesh_terms: D000818:Animals; D001993:Bronchodilator Agents / Q000737:chemistry / Q000494:pharmacology*; D016002:Discriminant Analysis; D005260:Female; D006168:Guinea Pigs; D066298:In Vitro Techniques; D008297:Male; D009126:Muscle Relaxation / Q000187:drug effects; D013329:Structure-Activity Relationship; D014132:Trachea / Q000187:drug effects / Q000502:physiology
chemical_list: D001993:Bronchodilator Agents