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• W1558870147 abstract "Protein kinase B (PKB/AKT) is an attractive therapeutic target in anticancer drug development. We have recently identified by docking-based virtual screening a low micromolar AKT-2 inhibitor. Additionally, the virtual screening hit represents a novel AKT-2 inhibitor scaffold. In this work, we discuss a structure-based design strategy toward the optimization of this hit. Following this strategy and using a herein validated docking protocol, we conducted the design of novel compounds with expected improved activity over the parent compound. The newly designed molecules have high predicted affinity for AKT-2; are synthetically accessible and are contained within the kinase-relevant property space." @default.
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• W1558870147 date "2010-06-22" @default.
• W1558870147 modified "2023-10-18" @default.
• W1558870147 title "Docking of Protein Kinase B Inhibitors: Implications in the Structure-Based Optimization of a Novel Scaffold" @default.
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• W1558870147 doi "https://doi.org/10.1111/j.1747-0285.2010.01002.x" @default.
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