Der Nociceptin-Rezeptor (English shop)

Theoretische Unteruschungen zu Ligand-Protein-Wechselwirkungen

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The nociceptin receptor, a G-protein-coupled receptor, represents a novel and interesting target for drugs owing to its influence on many central processes. In the present work, molecular modelling studies on the interactions between non-peptidic ligands and the nociceptin receptor were carried out.

In the first part of the work, a data set of selectively binding agonists published by Hoffmann-La Roche was used for ligand-based analyses. The high-affinity ligand Ro 64-6198 was used in its potentially bioactive conformation as a reference for a superposition of all agonists. From the superposition and by probing Ro 64-6198 with functionally different GRID probes, initial hypotheses could be formulated, on the one hand about which structures are important for binding in the receptor, and on the other hand about the shape of the binding pocket.