Eterodimero apoA-IM-apoA-II: proposta di un modello
strutturale a supporto della sua particolare sensibilità alla proteolisi
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| Title | Eterodimero apoA-IM-apoA-II: proposta di un modello strutturale a supporto della sua particolare sensibilità alla proteolisi |
| Authors | |
| Abstract | In this study, we propose a structure for the heterodimer between apolipoprotein A-IMilano and apolipoprotein A-II (apoA-IM–apoA-II) in a synthetic high-density lipoprotein (HDL) containing L--palmitoyloleoyl phosphatidylcholine. We applied bioinformatics/computational tools and procedures, such as molecular docking, molecular and essential dynamics, starting from published crystal structures for apolipoprotein A-I and apolipoprotein A-II. Structural and energetic analyses onto the simulated system showed that the molecular dynamics produced a stabilized synthetic HDL. The essential dynamic analysis showed a deviation from the starting belt structure. Our structural results were validated by limited proteolysis experiments on HDL from apoA-IM carriers in comparison with control HDL. The high sensitivity of apoA-IM–apoA-II to proteases was in agreement with the high root mean-square fluctuation values and the reduction in secondary structure content from molecular dynamics data. Circular dichroism on synthetic HDL containing apoA-IM–apoA-II was consistent with the -helix content computed on the proposed model. |
| Publisher | CILEA |
| Date | 2006-11-24 |
| Source | Research Activities on High Performance Computing Clusters at CILEA 2006 2006 |
| Rights | Copyright 2007 CILEA |