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• W2000408758 abstract "Computer modeling approaches to identify new inhibitors are essentially a very sophisticated and efficient way to design drugs. In this study, a bivalent nonpeptide intergrin alpha(v)beta(3) antagonist (bivalent IA) has been synthesized on the basis of an in silico rational design approach. A near-infrared (NIR) fluorescent imaging probe has been developed from this bivalent compound. In vitro binding assays have shown that the bivalent IA (IC(50) = 0.40 +/- 0.11 nM) exhibited improved integrin alpha(v)beta(3) affinity in comparison with the monovalent IA (IC(50) = 22.33 +/- 4.51 nM), resulting in an over 50-fold improvement in receptor affinity. NIR imaging probe, bivalent-IA-Cy5.5 conjugate, also demonstrated significantly increased binding affinity (IC(50) = 0.13 +/- 0.02 nM). Fluorescence microscopy studies showed integrin-mediated endocytosis of bivalent-IA-Cy5.5 in U87 cells which was effectively blocked by nonfluorescent bivalent IA. We also demonstrated tumor accumulation of this NIR imaging probe in U87 mouse xenografts." @default.
• W2000408758 created "2016-06-24" @default.
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• W2000408758 date "2010-01-26" @default.
• W2000408758 modified "2023-10-14" @default.
• W2000408758 title "Synthesis and Evaluation of a Near-Infrared Fluorescent Non-Peptidic Bivalent Integrin α_vβ₃ Antagonist for Cancer Imaging" @default.
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• W2000408758 doi "https://doi.org/10.1021/bc900313d" @default.
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