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 substa...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1995-09, Vol.340 (1), p.185-192
Main Authors: Costa, Maria Cristina Andreazza, Barata, Lauro Euclides Soares, Takahata, Yuji
Format: Article
Language:English
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Summary: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.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(95)04161-X