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Kinase selectivity potential for inhibitors targeting the ATP binding site: a network analysis
The network analysis reveals the likelihood to find selective inhibitors targeting the ATP binding site. Expand
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Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
We have discovered a novel chemical class of inhibitors of the EphB4 tyrosine kinase by fragment-based high-throughput docking followed by explicit solvent molecular dynamics simulations forExpand
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Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4).
The tyrosine kinase EphB4 is an attractive target for drug design because of its recognized role in cancer-related angiogenesis. Recently, a series of commercially available xanthine derivatives wereExpand
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Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography.
Inhibition of the tyrosine kinase erythropoietin-producing human hepatocellular carcinoma receptor B4 (EphB4) is an effective strategy for the treatment of solid tumors. We have previously reported aExpand
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Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation.
Several selective and potent EphB4 inhibitors have been discovered, optimized and biophysically characterized by our groups over the past years. On the outset of these discoveries high throughputExpand
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Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation.
The X-ray crystal structures of the catalytic domain of the EphA3 tyrosine kinase in complex with two type I inhibitors previously discovered in silico (compounds A and B) were used to design typeExpand
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Complementing ultrafast shape recognition with an optical isomerism descriptor.
We introduce the mixed product of three vectors spanning four molecular locations as a descriptor of optical isomerism. This descriptor is very efficient as it does not require molecularExpand
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Iriomoteolides: novel chemical tools to study actin dynamics† †Electronic supplementary information (ESI) available: Details for all biological assays as well as experimental and computational
This work broadcasts iriomoteolides as a novel and easily tunable tool for the study of actin polymerization and actin dynamics.
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Students Motivations For Voluntary Remedial Learning In High School
Most high schools offer remedial learning sessions to their students; however, very little is known about the perception of these activities, especially with regards to the students motivations. InExpand
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