Quantitative Structure-Activity Studies of Octopaminergic Agonists and Antagonists Against Locusta migratoria Using Similarity Indexes

Abstract

The quantitative structure-activity relationship of 39 octopamine (OA) agonists and 12 antagonists against the thoracic nerve cord of the migratory locust, Locusta migratoria L. was analyzed using atom based rigid fit method or flexible fitting offered by PowerFit 1.0 from MicroSimulation. For OA agonists, the more similar to reference compound NC (24) the structure of test compound, the higher the activity, whereas for OA antagonists it was not the case. Antagonists may not interact with the same part of the membrane with which the agonists interact. Taken the part of the membrane with which the agonist interacts as the true receptor, the antagonist may well interact with an area surrounding the receptor including the ionophore.

Key Words:

• Octopaminergic agonist
• octopaminergic antagonist
• Locusta migratoria
• QSAR
• similarity index
• PowerFit 1.0