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Quantitative Structure-Activity Relationship of Morita-Baylis-Hillman Adducts with Leishmanicidal Activity

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Quantitative Structure-Activity Relationship of

Morita-Baylis-Hillman Adducts with Leishmanicidal Activity

Rodrigo Octavio M. A. de Souza*, José C. Barros, Joaquim F. M. da Silva, and Octavio A. C. Antunes

Instituto de Química, Universidade Federal do Rio de Janeiro,

Av. Athos da Silveira Ramos 146, 21944 – 910, Rio de Janeiro, Brazil. Fax: +55-21-2562-7556.

E-mail: rodrigosouza@iq.ufrj.br

* Author for correspondence and reprint requests

Z. Naturforsch. 66 c, 136 – 142 (2011); received June 18/November 23, 2010 Dedicated to the memory of Professor Octavio Antunes and his family

A quantitative structure-activity relationship model for Morita-Baylis-Hillman adducts with leishmanicidal activities was developed which correlates molecular orbital energy and dipole with percentage in the promastigote stage.

Key words: Leishmaniasis, Morita-Baylis-Hillman, QSAR

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