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- W4384501488 abstract "The structure of the lead compound, a natural phaeospha- eride A derivative AV-6, (2S,3R,4R)-3-hydroxy-6-methoxy-3-methyl-7-methylene-2-pentyl-4-pyrrolidin-1-yl-3,4,6,7-tetrahydropyrano[2,3-c]pyrrol-5(2H)-one, was unambiguously determined by X-ray crystallography. When modeling in silico the interaction of AV-6 with targets in kinase cascades, high values of the binding energy (below –9 kcal mol-1) for some protein targets were shown. Our results identified that MAPK11, MAPK12 and AKT1 could be targets of AV-6." @default.
- W4384501488 created "2023-07-18" @default.
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- W4384501488 date "2023-07-01" @default.
- W4384501488 modified "2023-09-27" @default.
- W4384501488 title "X-ray structure and in silico molecular docking of a natural phaeosphaeride A derivative for targets associated with kinase cascades" @default.
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- W4384501488 doi "https://doi.org/10.1016/j.mencom.2023.06.030" @default.
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