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The synthetic strategies adopted to obtain the target compounds are depicted in Figs. 1 and 2. The starting material, 2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl -hydrazono] malononitrile (2) [20], was prepared by diazo-coupling of 4-aminoantipyrine (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl -hydrazono°C.
The chemical structures of the representative gedunin compounds are depicted in Figure S1.
The general structures of both compounds are depicted in Supplementary Fig S8A.
Considering the time effect, three different groups of compounds are depicted.
The chemical structures of these 3 major compounds are depicted in Figure 3.
These compounds are depicted in Figure 2A along with EC50 and EC90 values (empirically determined) for altering Aβ42 from CHO cells expressing wild-type APP695 (WT).
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Topological aspects of these classes of compounds were depicted by the fragment fingerprints and Balaban indices obtained from HQSAR and GFA models, respectively.
The binding score distribution of all the compounds is depicted in Supplementary Figure S1.
A selection of these compounds is depicted in Chart 1, along with their half-maximal inhibitory concentrations in the Shh-induced C3H10T1/2 alkaline phosphatase assay, and their maximal activity relative to the prototypical Shh pathway inhibitor cyclopamine.
The synthetic strategy adopted to obtain the target compounds is depicted in Scheme 1. Various nucleic acid bases such as adenine, guanine, cytosine, and heterocyclic amines were refluxed with formic acid in aqueous medium at 60°C to yield formamide derivatives of corresponding DNA bases.
The compound is depicted using the wireframe setting.
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