AlphaFold 3.0 Prediction\nReveals Stronger Interaction\nbetween Oleic Acid and Colipase than Palmitic Acid

The interaction\nbetween colipase and lipase is known to be crucial\nfor lipid digestion, but the roles of other factors remain unclear.\nThis study explores the dynamics of pancreatic lipase hydrolysis facilitated\nby colipase, with a focus on the regulatory roles of fatty acids and\ncalcium ions. Using computational modeling, including insights from\nAlphaFold 3.0, we elucidate the structural interactions essential\nfor hydrolysis activity. The prediction highlights the significant\nrole of calcium ions in altering the interaction between fatty acids\nand the lipase–colipase complex, thereby changing catalytic\nefficiency. We further demonstrate that slower hydrolysis rates are\nassociated with a stronger binding affinity between colipase and oleic\nacid, as well as the occupation of the lipase catalytic pocket by\noleic acid in the presence of calcium ions. The AlphaFold predictions\nprovide a robust framework for experimental validation and potential\napplications. These findings offer deeper insights into dietary lipid\ndigestion and highlight potential avenues for interventions addressing\nlipid digestion in malnutrition.

Publication Details

Journal
Figshare
Published
2024-12-02
DOI
https://doi.org/10.1021/acs.jafc.4c06134.s001
Primary Topic
Legal and Regulatory Analysis
Type
article
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article

AlphaFold 3.0 Prediction\nReveals Stronger Interaction\nbetween Oleic Acid and Colipase than Palmitic Acid

Figshare
Legal and Regulatory Analysis
article

AlphaFold 3.0 Prediction\nReveals Stronger Interaction\nbetween Oleic Acid and Colipase than Palmitic Acid

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Abstract

The interaction\nbetween colipase and lipase is known to be crucial\nfor lipid digestion, but the roles of other factors remain unclear.\nThis study explores the dynamics of pancreatic lipase hydrolysis facilitated\nby colipase, with a focus on the regulatory roles of fatty acids and\ncalcium ions. Using computational modeling, including insights from\nAlphaFold 3.0, we elucidate the structural interactions essential\nfor hydrolysis activity. The prediction highlights the significant\nrole of calcium ions in altering the interaction between fatty acids\nand the lipase–colipase complex, thereby changing catalytic\nefficiency. We further demonstrate that slower hydrolysis rates are\nassociated with a stronger binding affinity between colipase and oleic\nacid, as well as the occupation of the lipase catalytic pocket by\noleic acid in the presence of calcium ions. The AlphaFold predictions\nprovide a robust framework for experimental validation and potential\napplications. These findings offer deeper insights into dietary lipid\ndigestion and highlight potential avenues for interventions addressing\nlipid digestion in malnutrition.

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