TY - JOUR
T1 - Role of Cholesterol on Binding of Amyloid Fibrils to Lipid Bilayers
AU - Dias, Cristiano L.
AU - Jalali, Sharareh
AU - Yang, Yanxing
AU - Cruz, Luis
N1 - Funding Information:
This material is based upon the work supported by the National Science Foundation under Grant Nos. CHE-1904364 and CHE-1904528. Computational resources were provided by the High Performance Computing Center at the New Jersey Institute of Technology.
Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/4/16
Y1 - 2020/4/16
N2 - Molecular dynamics simulations are used to provide insights into the molecular mechanisms accounting for binding of amyloid fibrils to lipid bilayers and to study the effect of cholesterol in this process. We show that electrostatic interactions play an important role in fibril-bilayer binding and cholesterol modulates this interaction. In particular, the interaction between positive residues and lipid head groups becomes more favorable in the presence of cholesterol. Consistent with experiments, we find that cholesterol enhances fibril-membrane binding.
AB - Molecular dynamics simulations are used to provide insights into the molecular mechanisms accounting for binding of amyloid fibrils to lipid bilayers and to study the effect of cholesterol in this process. We show that electrostatic interactions play an important role in fibril-bilayer binding and cholesterol modulates this interaction. In particular, the interaction between positive residues and lipid head groups becomes more favorable in the presence of cholesterol. Consistent with experiments, we find that cholesterol enhances fibril-membrane binding.
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U2 - 10.1021/acs.jpcb.0c00485
DO - 10.1021/acs.jpcb.0c00485
M3 - Article
C2 - 32207622
AN - SCOPUS:85083544996
SN - 1520-6106
VL - 124
SP - 3036
EP - 3042
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
IS - 15
ER -