Hassan, Mujtaba published the artcileBenzimidazole-galactosides bind selectively to the Galectin-8 N-Terminal domain: Structure-based design and optimization, Computed Properties of 4760-35-4, the publication is European Journal of Medicinal Chemistry (2021), 113664, database is CAplus and MEDLINE.
We have obtained the X-ray crystal structure of the galectin-8 N-terminal domain (galectin-8N) with a previously reported quinoline-galactoside ligand at a resolution of 1.6 Å. Based on this X-ray structure, a collection of galactosides derivatized at O3 with triazole, benzimidazole, benzothiazole, and benzoxazole moieties were designed and synthesized. This led to the discovery of a 3-O-(N-methylbenzimidazolylmethyl)-galactoside with a Kd of 1.8μM for galectin-8N, the most potent selective synthetic galectin-8N ligand to date. Mol. dynamics simulations showed that benzimidazole-galactoside derivatives bind the non-conserved amino acid Gln47, accounting for the higher selectivity for galectin-8N. Galectin-8 is a carbohydrate-binding protein that plays a key role in pathol. lymphangiogenesis, modulation of the immune system, and autophagy. Thus, the benzimidazole-derivatized galactosides, e.g. I, represent promising compounds for studies of the pathol. implications of galectin-8, as well as a starting point for the development of antitumor and antiinflammatory therapeutics targeting galectin-8.
European Journal of Medicinal Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Computed Properties of 4760-35-4.
Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem