2023
DOI: 10.1101/2023.03.22.533895
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The translocation mechanism of calcitriol throughHelicobacter pylorilipid membrane and influence on water permeability

Abstract: Helicobacter pylori exhibits a unique membrane lipid composition, including dimyristoyl phosphatidylethanolamine (DMPE) and cholesterol, unlike other Gram-negative bacteria. Calcitriol has antimicrobial activity against H. pylori, but cholesterol enhances antibiotics resistance in H. pylori. This study explored the changes in membrane structure and the molecular mechanisms of cholesterol/calcitriol translocation using well-tempered metadynamics (WT-MetaD) simulations and microsecond conventional molecular dyna… Show more

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