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According to this analysis, compound 3 was confirmed as engleromycenol.
In cell cycle analysis, compound 6a exerted G2/M phase arrest in A431 cells and induced apoptosis.
Based on comparative docking analysis, compound 114 (ethyl pyridine substituted 3-cyanothiophene) was predicted to potentially be the most active ligand.
Based on the molecular docking analysis compound 3g optimization work was performed, and then a new structure backbone of N-nitrourea compound was designed for further research.
Nevertheless, GC×GC allows for target analysis, compound class analysis and chemical fingerprinting of samples and is therefore increasingly applied in forensic analytics.
Within the cellular proliferation inhibition assay and western blot analysis, compound 3e demonstrated excellent anti-proliferative activity against solid tumor cells and clear accumulation of ubiquitinated cellular proteins.
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According to single crystal X-ray diffraction analysis, compounds I and II crystallize in the monoclinic space group P21/c.
For the present analysis, compounds are grouped by their structures, which is the primary control of their chemical interactions.
Ligands with an ambiguous stereochemical assignment were removed from the dataset leaving 50 compounds for analysis (compounds 1 and 13 to 61, Table S1, Supplementary data).
For the entire analysis, compounds of extract were dissolved in dimethylsulfoxide (DMSO), and filter-sterilization was done through a 0.22-μm membrane filter.
On the basis of this analysis, compounds 1 and 3 show calcium-independent inhibition of PAD2, whereas 2 shows a strong decrease in percent inhibition at the higher concentration of calcium.
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