Computer design of tetrapeptide CCK-4 analogues

摘要

In this paper we propose a theoretical method of estimation of biological activity of tetrapeptide cholecystokinin (CCK-4) analogues according to their structure. The method is based on the prospective mechanism of CCK-4 interaction with CCK-2 receptor. Electron and structural properties of CCK-4 are taken into account. The relationship structure-activity for CCK-4 analogues with the known pharmacological profile have been studied using the model of the ligand-receptor interaction.