Coarse-graining the recognition of a glycolipid by the C-type lectin Mincle receptor.

Předmět:	MYCOBACTERIAL diseases KIDNEY bean MYCOBACTERIUM tuberculosis COUMARINS INFORMATION technology
Zdroj:	TB & Outbreaks Week; 6/7/2024, p212-212, 1p
Abstrakt:	A recent preprint abstract discusses the role of the macrophage inducible Ca2+-dependent lectin (Mincle) receptor in recognizing glycolipids from Mycobacterium tuberculosis and triggering an immune response. The study explores the use of the Martini 3 force field for coarse-grained molecular modeling to understand the interactions between Mincle and glycolipids. The researchers identified critical parameters that govern ligand recognition and assessed ligand affinity using free energy perturbation calculations. The findings provide mechanistic insight into the interactions and offer a basis for designing molecules that target this type of membrane receptor. [Extracted from the article]
Databáze:	Complementary Index
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