Abstract
Amphotericin B is a polyene antifungal drug, often used intravenously for systemic fungal infections. It is believed that AmB associates with ergosterol, the main component of fungal cell membranes, forming a transmembrane channel that leads to K+ leakage and fungal cell death. United atom Molecular Dynamics simulations where used to study the mechanism of action of AmB, and other structural analogs, on a POPC and ergosterol bilayer (3:1), varying toxins concentration. It is shown that toxins aggregate first in solution before adsorbing into the membrane, both at low and high concentrations. Electrostatic properties of AmB play an important role in toxicity and sterol selectivity in comparison with AmB's structural analogs.View Large Image | View Hi-Res Image | Download PowerPoint Slide
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