6533b835fe1ef96bd129f326

RESEARCH PRODUCT

New Hypolipaemic Agents Designed by Molecular Topology: Pharmacological Studies of 2,6-Di-tert-butyl-4-methylpyridine and 2,6-Di-tert-butylpyridine

Facundo Pérez-giménezM. T. Salabert-salvadorF. J. García-marchMiguel Murcia-solerR. A. Cercós-del-pozo

subject

PharmacologyTert butylQuantitative structure–activity relationshipClofibrateChemistryStereochemistry26-Di-tert-butylpyridineReference drugchemistry.chemical_compoundTotal cholesterol4-MethylpyridinemedicineMolecular topologymedicine.drug

description

New compounds showing hypolipaemic activity have been designed using a computer-aided method based on molecular topology and QSAR analysis. Linear discriminant analysis and connectivity functions were used to design three potentially suitable drugs which were tested for hypolipaemic properties by the Triton WR-1339 test in rats. The pharmacological tests carried out on the newly designed compounds demonstrated the existence of notable activity in phase I for two of them. namely 2,6-Di-tert-butyl-4-methylpyridine (C.A.S. 38222-83-2) and 2,6-Di-tert-butylpyridine (C.A.S. 585-48-8), with respect to the level of total cholesterol. Both substances decrease the lipaemia to lower levels than clofibrate, which was used as a reference drug.

https://doi.org/10.1002/(sici)1521-3838(199911)18:5<464::aid-qsar464>3.0.co;2-r