PMC:6723693 / 53577-54687 JSONTXT

{"target":"http://pubannotation.org/docs/sourcedb/PMC/sourceid/6723693","sourcedb":"PMC","sourceid":"6723693","source_url":"https://www.ncbi.nlm.nih.gov/pmc/6723693","text":"When challenged for heparin binding using the MB assay [33,34], the ability of these nanoassemblies to complex the polyanion was found to decrease with increasing unsaturation, i.e., CE50 = 0.8 ± 0.5, 1.8 ± 01, and 2.3 ± 0.2 for C18,1G0, C18,2G0, and C18,3G0, respectively. As the difference in these CE50 values were well beyond the related uncertainties, we could conclude that the progressive stiffening of the dendron tails has a significant impact on their polysaccharide binding. To unveil the molecular reasons underlying this behavior, we resorted again to computer-based simulations. Figure 13a–c shows three equilibrated snapshots extracted from the corresponding MD simulations of the self-assembled dendrons in complex with heparin. These images clearly show that, in passing from 1 to 3 unsaturations in the hydrophobic portion of the self-assembling dendrons the number of positively-charged terminal groups in productive contact with the polyanion progressively decreases. In quantitative terms, this translates into Neff values of 19, 15, and 13 for C18,1G0, C18,2G0, and C18,3G0, respectively.","tracks":[{"project":"2_test","denotations":[{"id":"31434309-23406254-7261684","span":{"begin":59,"end":61},"obj":"23406254"}],"attributes":[{"subj":"31434309-23406254-7261684","pred":"source","obj":"2_test"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"2_test","color":"#bd93ec","default":true}]}]}}