6533b825fe1ef96bd1282701
RESEARCH PRODUCT
New Analgesics Designed by Molecular Topology
F. J. García-marchJorge GalvezG. M. Antón-fosJ.v. De Julián-ortizRamón García-domenechRosina Solersubject
PharmacologyPropanolchemistry.chemical_compoundchemistryStereochemistryAnalgesicMolecular topologyReference drugLinear discriminant analysisCombinatorial chemistrydescription
Molecular topology has been applied to the design of new analgesic drugs, utilizing linear discriminant analysis and connectivity functions using different topological descriptors. Of a total of 26 compounds selected, 17 showed analgesic activity. The following stood out particularly, showing analgesic values greater than 75% regarding ASA (acetylsalicylic acid), the reference drug: 2-(1-propenyl)phenol, 2′4′ dimethylacetophenone, p-chlorobenzohydrazide, 1-(p-chlorophenyl) propanol and 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one. The usefulness of the design method has been demonstrated in the search of new chemical structures having analgesic effects, some of which could become “lead drugs”.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1996-01-01 | Quantitative Structure-Activity Relationships |