engleski

Replica-Exchange Molecular Dynamics Studies on Natural and Non-Natural Opioid Peptides

Opioid peptides are known to be associated with many physiological features such as pain mediation, opiate dependence, and euphoria. They are also known to possess affinity for several structurally distinct receptors, implying a chameleon-like ability to assume different shapes for different purposes. Particularly important in this respect is the known receptor-based activity of Opioid Growth Factor (OGF), also known as Met-Enkephalin, as a tonic inhibitor of cell division. This property makes it and its derivatives potential targets for anti-cancer activity. The medicinal use of OGF, however, is limited by rapid hydrolysis. Recent efforts to improve the activity of OGF have involved the substitution of one or more of its constituents by unnatural amino acids. In this contribution, the structural preferences for OGF and several of its unnatural analogues will be presented with the aid of Replica-Exchange Molecular Dynamics Simulations. Emphasis will be placed on establishing clear methods of analysis and discussion of the significance of the trends revealed by the simulations.

Opiod Peptides ; Molecular Dynamics

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