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Related Experiment Videos

Interaction between dihydropyridines and phospholipid bilayers: a molecular dynamics simulation

M Aiello1, O Moran, M Pisciotta

  • 1Istituto di Cibernetica e Biofisica, Consiglio Nazionale delle Ricerche, Genova, Italy.

European Biophysics Journal : EBJ
|June 6, 1998
PubMed
Summary

Dihydropyridines (DHPs) like lacidipine and nifedipine interact with cell membranes. Nifedipine rigidifies membranes, while lacidipine shows minimal impact, affecting phospholipid bilayer dynamics.

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Area of Science:

  • Pharmacology
  • Biophysics
  • Computational Chemistry

Background:

  • Dihydropyridines (DHPs) are crucial calcium channel antagonists.
  • Understanding their interaction with cell membranes is vital for drug design.

Purpose of the Study:

  • To investigate the interaction of lacidipine and nifedipine with a phospholipid bilayer.
  • To elucidate the molecular mechanisms of DHP interaction with membrane structure and dynamics.

Main Methods:

  • Utilized 600 ps molecular dynamic simulations.
  • Constructed a double layer membrane model using dimirystoyl-phosphatidylcholine molecules.

Main Results:

  • DHP molecules were observed to localize approximately 7 Å from the membrane center, inducing bilayer asymmetry.

Related Experiment Videos

  • Lacidipine did not cause significant local perturbations in the gauche-trans isomerization rate.
  • Nifedipine significantly decreased the gauche-trans isomerization rate, suggesting localized membrane stiffening.

    • Conclusions:

    • Nifedipine induces local rigidity in phospholipid bilayers, potentially affecting its pharmacological action.
    • Lacidipine exhibits a less disruptive interaction with the phospholipid bilayer compared to nifedipine.