6533b7cefe1ef96bd1256fbe

RESEARCH PRODUCT

New bronchodilators selected by molecular topology.

Julio CortijoJorge GalvezI. Rı́os-santamarinaRamón García-domenechPedro Santamarı́aEsteban J. Morcillo

subject

Malemedicine.drug_classStereochemistryAnthrarobinMuscle RelaxationClinical BiochemistryGuinea PigsPharmaceutical ScienceIn Vitro TechniquesBiochemistryMedicinal chemistrychemistry.chemical_compoundStructure-Activity RelationshipBronchodilatorDrug DiscoverymedicineAnimalsTheophyllineMolecular BiologyAcenocoumarolChemistryOrganic ChemistryDiscriminant AnalysisGriseofulvinBronchodilator AgentsTracheaMuscle relaxationBronchodilator AgentsMolecular MedicineFemaleMolecular topologymedicine.drug

description

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).

10.1016/s0960-894x(98)00056-0https://pubmed.ncbi.nlm.nih.gov/9871602