Volume 12, Issue S4 pp. 357-362
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A molecular orbital study of the chloramphenicol family of drugs: A preliminary report

Richard E. Brown

Richard E. Brown

Instituto de Química, Universidade Estadual de Campinas, Campinas, S.P., Brasil

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Alfredo M. Simas

Alfredo M. Simas

Instituto de Química, Universidade Estadual de Campinas, Campinas, S.P., Brasil

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Roy E. Bruns

Roy E. Bruns

Instituto de Química, Universidade Estadual de Campinas, Campinas, S.P., Brasil

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First published: 9/12 January 1977

Abstract

CNDO/2 calculations were completed on various cogeners of the chloramphenicol molecule to study the potency of this antibiotic. Several mo indices correlated well with the biological activities. Little effect upon the stabilization of the radical intermediate was found. The substituents apparently alter significantly only the electrostatic interactions with the receptor.

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