01972nas a2200157   4500008004100000022001400041245009100055210006900146260000900215300001000224490000800234520141000242100002001652700002001672856012201692       2019                        eng d  a0006-349500aInterplay between membrane curvature and cholesterol: role of palmitoylated caveolin-10 aInterplay between membrane curvature and cholesterol role of pal  cJAN   a69-780 v1163 a<p>Caveolin-1 (cav-1) is an important player in cell signaling and endocytosis that has been shown to colocalize with cholesterol-rich membrane domains. Experimental studies with varying cav-1 constructs have suggested that it can induce both cholesterol clustering and membrane curvature. Here, we probe the molecular origin of membrane curvature and cholesterol clustering by cav-1 by using coarse-grain molecular dynamics simulations. We have performed a series of simulations of a functionally important cav-1 construct, comprising the membrane-interacting domains and a C-terminal palmitoyl tail. Our results suggest that cav-1 is able to induce cholesterol clustering in the membrane leaflet to which it is bound as well as the opposing leaflet. A positive membrane curvature is observed upon cav-1 binding in cholesterol-containing bilayers. Interestingly, we observe an interplay between cholesterol clustering and membrane curvature such that cav-1 is able to induce higher membrane curvature in cholesterol-rich membranes. The role of the cav-1 palmitoyl tail is less clear and appears to increase the membrane contacts. Further, we address the importance of the secondary structure of cav-1 domains and show that it could play an important role in membrane curvature and cholesterol clustering. Our work is an important step toward a molecular picture of caveolae and vesicular endocytosis.</p>1 aKrishna, Anjali1 aSengupta, Durba  uhttps://library.ncl.res.in/content/interplay-between-membrane-curvature-and-cholesterol-role-palmitoylated-caveolin-1