8 August 2006 Computer design of tetrapeptide CCK-4 analogues
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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.
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Pavel E. Kuznetsov, Pavel E. Kuznetsov, Nina B. Kuznetsova, Nina B. Kuznetsova, Sergey V. Schulgin, Sergey V. Schulgin, Svetlana M. Rogacheva, Svetlana M. Rogacheva, Valeriy V. Sinyakov, Valeriy V. Sinyakov, Viktor A. Kovtun, Viktor A. Kovtun, } "Computer design of tetrapeptide CCK-4 analogues", Proc. SPIE 6165, Saratov Fall Meeting 2005: Laser Physics and Photonics, Spectroscopy and Molecular Modeling VI, 61650T (8 August 2006); doi: 10.1117/12.696921; https://doi.org/10.1117/12.696921

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