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Free energy analysis of membrane pore formation process in the presence of multiple melittin peptides
http://hdl.handle.net/2237/00030804
http://hdl.handle.net/2237/000308040b02288d-016c-4695-b5c6-f57768c88329
名前 / ファイル | ライセンス | アクション |
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BBA20180221 (24.1 MB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2019-10-15 | |||||
タイトル | ||||||
タイトル | Free energy analysis of membrane pore formation process in the presence of multiple melittin peptides | |||||
言語 | en | |||||
著者 |
Miyazaki, Yusuke
× Miyazaki, Yusuke× Okazaki, Susumu× Shinoda, Wataru |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Pore formation | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Lipid membrane | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Free energy | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Molecular dynamics simulation | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Melittin | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Peptide | |||||
抄録 | ||||||
内容記述 | Understanding the molecular mechanism underlying pore formation in lipid membranes by antimicrobial peptides is of great importance in biological sciences as well as in drug design applications. Melittin has been widely studied as a pore forming peptide, though the molecular mechanism for pore formation is still illusive. We examined the free energy barrier for the creation of a pore in lipid membranes with and without multiple melittin peptides. It was found that six melittin peptides significantly stabilized a pore, though a small barrier (a few kBT) for the formation still existed. With five melittin peptides or fewer, the pore formation barrier was much higher, though the established pore was in a local energy minimum. Although seven melittins effectively reduced the free energy barrier, a single melittin peptide left the pore after a long time MD simulation probably because of the overcrowded environment around the bilayer pore. Thus, it is highly selective for the number of melittin peptides to stabilize the membrane pore, as was also suggested by the line tension evaluations. The free energy cost required to insert a single melittin into the membrane is too high to explain the one-by-one insertion mechanism for pore formation, which also supports the collective melittin mechanism for pore formation. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
内容記述 | ||||||
内容記述 | ファイル公開:2020-07-01 | |||||
言語 | ja | |||||
内容記述タイプ | Other | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | Elsevier | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1016/j.bbamem.2019.03.002 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0005-2736 | |||||
書誌情報 |
en : Biochimica et Biophysica Acta (BBA) - Biomembranes 巻 1861, 号 7, p. 1409-1419, 発行日 2019-07-01 |
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著者版フラグ | ||||||
値 | author |