NEW ANALGESICS DESIGNED BY MOLECULAR TOPOLOGY

Molecular topology has been applied to the design of new analgesic dru gs, utilizing linear discriminant analysis and connectivity functions using different topological descriptors. Of a total of 26 compounds se lected, 17 showed analgesic activity. The following stood out particul arly, showing analgesic values greater than 75% regarding ASA (acetyls alicylic acid), the reference drug: 2-(1-propenyl)phenol, 2'4' dimethy lacetophenone, 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 stru ctures having analgesic effects, some of which could become ''lead dru gs''.