Tojo, Toshifumi; Kubo, Yuhei; Kondo, Takeshi; Yuasa, Makoto published their research in Heterocycles in 2021. The article was titled 《Inverted positioning of DNMT1 inhibitor in the active site of DNMT1 caused by hydrophobicity/hydrophilicity of the terminal structure》.Quality Control of Methyl 3-(bromomethyl)benzoate The article contains the following contents:
DNA (cytosine-5)-methyltransferase 1 (DNMT1) is one of the enzymes that regulate DNA modification. It has been demonstrated that overexpression of DNMT1 is associated with the development of cancer, making DNMT1 an attractive mol. target for cancer therapy. Focused on the terminal structures of existing DNMT1 inhibitors, we designed and screened test compounds that possessed another functional group. Binding simulations identified compounds with a trifluoromethylphenyl group to insert in an inverted position against DNMT1 compared to existing DNMT1 inhibitors. These results suggest that the binding form against DNMT1 may depend on the hydrophobicity/hydrophilicity of the inhibitor′s terminal structure. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Quality Control of Methyl 3-(bromomethyl)benzoate)
Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Quality Control of Methyl 3-(bromomethyl)benzoate In contrast, terrestrial plants account only for a few bromine-containing compounds.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary