Quantum Pharmacological Analysis of Structure-Activity Relationships for Mefloquine Antimalarial Drugs

Supa POLMAN; Sirirat KOKPOL; Supot HANNONGBUA; Bernd M. RODE

doi:10.2116/analsci.5.641

Supa POLMAN, Sirirat KOKPOL, Supot HANNONGBUA, Bernd M. RODE

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Keywords: Quantitative electronic structure-activity relationships, active site mefloquines, molecular orbital calulations

JOURNAL FREE ACCESS

1989 Volume 5 Issue 6 Pages 641-644

DOI https://doi.org/10.2116/analsci.5.641

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Abstract

Linear models for quantitative electronic structure-activity relationships (QSAR) of mefloquine-type antimalarial drugs have been evaluated on the basis of CNDO/2 molecular orbital calculations. The results indicate that mefloquines could interact via two active sites in a similar mechanism, as proposed for primaquine and chloroquine drugs.

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