Modeling the Interaction of Low Molecular Weight Targeting Ligands and Synthesis of Lipotripeptides with Potential Inhibitory Ability Against Integrin αVβ3
A. Yu. Mikhailova, U. A. Budanova, Yu. L. Sebyakin
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引用次数: 0
Abstract
Low molecular weight RGD peptides and RGD mimetics are widely studied as ligands targeting the corresponding receptor in the diagnosis and therapy of cancer, as well as in the field of bone tissue regeneration. Some of them are undergoing preclinical trials. The aim of this study is to select the optimal variants of the ligand structure based on an aliphatic RGD mimetic. By methods of molecular modeling (blind docking and active site docking), the most advantageous constructions for the formation of a stable complex with the integrin αVβ3 are determined. A scheme is developed and two lipotripeptides Gnd-GABA-Gly-Asp(C16)2 and Gnd-β-Ala-Gly-Asp(C16)2 with the potential ability to inhibit this receptor on the surface of tumor tissues are synthesized.
期刊介绍：
Moscow University Chemistry Bulletin is a journal that publishes review articles, original research articles, and short communications on various areas of basic and applied research in chemistry, including medical chemistry and pharmacology.
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