Generation of Bilayer Asymmetry and Membrane Curvature by the Sugar‐Cleaving Enzyme Invertase

Nowbagh, Abhimanyu; Deshwal, Akshi; Kadu, Mayur; Chaudhuri, Abhishek; Maiti, Subhabrata; Lipowsky, Reinhard; Bhatia, Tripta

doi:10.1002/syst.202200027

Cited by 2 publications

(2 citation statements)

References 32 publications

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“…The creation of membrane curvature in the presence of saccharides is evident from the experiment. 46 However, glucose−lipid interaction-based development of curved surfaces from atomistic simulations is reported here for the first time. To be noted, the model lipid bilayer system in the present case is limited in size; however, the effects are expected to be more prominent for the larger systems, on which we are working at present in our laboratory.…”

Section: Journal Of Chemical Information and Modelingmentioning

confidence: 76%

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Interfacial Glucose to Regulate Hydrated Lipid Bilayer Properties: Influence of Concentrations

Maity,

Pahari,

Santra

et al. 2024

J. Chem. Inf. Model.

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A series of atomistic molecular dynamics (MD) simulations were carried out with a hydrated 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayer with the variation of glucose concentrations from 0 to 30 wt % in the presence of 0.3 M NaCl. The study suggested that although the thickness of the lipid bilayer dropped significantly with the increase in glucose concentration, it expanded laterally at high glucose levels due to the intercalation of glucose between the headgroups of adjacent lipids. We adopted the surface assessment via the grid evaluation method to compute the deviation of the bilayer's key structural features for the different amounts of glucose present. This suggested that the accumulation of glucose molecules near the headgroups influences the local lipid bilayer undulation and crimping of the lipid tails. We find that the area compressibility modulus increases with the glucose level, causing enhanced bilayer rigidity arising from the slow lateral diffusion of lipids. The restricted lipid motion at high glucose concentrations controls the sustainability of the curved bilayer surface. Calculations revealed that certain orientations of CO ÷÷÷÷÷÷ of interfacial glucose with the PN ÷÷÷÷÷÷ of lipid headgroups are preferred, which helps the glucose to form direct hydrogen bonds (HBs) with the lipid headgroups. Such lipid−glucose (LG) HBs relax slowly at low glucose concentrations and exhibit a higher lifetime, whereas fast structural relaxation of LG HBs with a shorter lifetime was noticed at a higher glucose level. In contrast, lipid−water (LW) HBs exhibited a higher lifetime at a higher glucose level, which gradually decreased with the glucose level lowering. The study interprets that the glucose concentration-driven LW and LG interactions are mutually inclusive. Our detailed analysis will exemplify small saccharide concentration-driven membrane stabilizing efficiency, which is, in general, helpful for drug delivery study.

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Section: Journal Of Chemical Information and Modelingmentioning

confidence: 76%

“…Development of curved surfaces with the addition of glucose is visible on the color map. The creation of membrane curvature in the presence of saccharides is evident from the experiment . However, glucose–lipid interaction-based development of curved surfaces from atomistic simulations is reported here for the first time.…”

Section: Resultsmentioning

confidence: 99%