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This study opens a new way to rationally design cheap and active ORR catalysts by using simple flat compound as a direct template.
The complete list of CSD/ZINC entries of these compounds in this CSD set can be found in Supplementary file 1. Flat Compound (FC) set.
A second set of ∼7000 compounds, the Flat Compound Set, was gathered from the ZINC database to include molecules expected to bind to the flat surface of a steric zipper.
The flat compound library includes compounds with similar chemical structures to naturally fiber-binding molecules, for instance, Thioflavin-T (ThT), Congo red, Green tea epigallocatechin-3-gallate (EGCG), and Curcumin.
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This study opens a new way to rationally design inexpensive and highly-efficient ORR catalysts by using simple flat compounds as a direct template.
Notice the starred bins which suggest that some members of Set 2, containing flat compounds, tend to be among the top scoring compounds, presumably having the tightest binding to the flat fiber surface.
After computational docking, the distribution of calculated binding energies suggests that, statistically the flat compounds from Set 2 fit more snugly on the flat surfaces of Aβ16 21 fibers than those with diverse shapes in Set 1.
Here we show that knowledge of the atomic structure of one of the adhesive, steric-zipper segments of the amyloid-beta (Aβ) protein of Alzheimer's disease, when coupled with computational methods, identifies eight diverse but mainly flat compounds and three compound derivatives that reduce Aβ cytotoxicity against mammalian cells by up to 90%.
In the middle of the flat earth compound between several huts is a large termite mound.
In this paper, we have shown a guiding principle to design flat-band compound.
Owing to its ability to interact with flat aromatic compounds, hypericin may potentially be used as an interceptor molecule.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com