SAR ANALYSIS OF SYNTHETIC NEOLIGNANS AND RELATED-COMPOUNDS WHICH ARE ANTI-LEISHMANIASIS ACTIVE COMPOUNDS USING PATTERN-RECOGNITION METHODS

Potentially active new neolignan and analogues against leishmaniasis are proposed. Structure-activity relationship (SAR) techniques were employed. Physicochemical properties such as log P, molecular volume, atomic charge and quantum chemical parameters were calculated for a group of synthetic substances for which the biological activities against leishmaniasis are known. Only about half a dozen out of more than twenty parameters were found to be efficient for the classification of the compounds into active and inactive groups.