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  1. 学部学科区分一覧
  2. 医学部・医学系研究科・医学部附属病院
  1. 資料タイプ一覧
  2. 学術雑誌論文

Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method

https://repository.lib.tottori-u.ac.jp/records/7111
https://repository.lib.tottori-u.ac.jp/records/7111
2bd5e072-ee64-488d-908e-853e4bf66df5
名前 / ファイル ライセンス アクション
bj94(1)_95.pdf bj94(1)_95.pdf (746.5 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2019-09-19
タイトル
言語 en
タイトル Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method
言語
言語 eng
資源タイプ
資源タイプ journal article
著者 Fujiwara, Shin-ichi

× Fujiwara, Shin-ichi

WEKO 4875
e-Rad 00362880
研究者総覧鳥取大学 100000236

en Fujiwara, Shin-ichi

Search repository
Amisaki, Takashi

× Amisaki, Takashi

WEKO 96
e-Rad 20231996
研究者総覧鳥取大学 100000075

en Amisaki, Takashi

Search repository
著者所属(英)
en
Department of Biological Regulation, Faculty of Medicine, Tottori University
著者所属(英)
en
Department of Biological Regulation, Faculty of Medicine, Tottori University
抄録
内容記述タイプ Other
内容記述 Human serum albumin (HSA) has seven common fatty acid (FA) binding sites. In this study, we used the molecular mechanics Poisson-Boltzmann surface area method to identify high affinity FA binding sites on HSA in terms of binding free energy. Using multiple HSA-FA (myristate, palmitate) complex models constructed by molecular dynamics simulations, two methods were performed in molecular mechanics Poisson-Boltzmann surface area, the “three-trajectory method” and the “single-trajectory method”. The former, which is less precise than the latter but may be more accurate as it includes the effects of conformational change upon binding, was used to classify high and low affinity sites. As a result, Sites 2, 4, and 5 were identified as high affinity sites for both FAs. The latter method, which is precise because energies are calculated from snapshots of the same trajectory for HSA-FAcomplex, was performed to compare the magnitude of binding free energy for these sites. The order of magnitude was 5 > 4 > 2, identical to that of a previous publication by others. In this way, a combination of the two methods was effectively used to identify high affinity sites. This study therefore provides an insight into the quantitative identification of high affinity FA binding sites on HSA.
書誌情報 Biophysical journal
en : Biophysical journal

巻 94, 号 1, p. 95-103, 発行日 2008-01
出版者
出版者 Elsevier Inc.
ISSN
収録物識別子タイプ ISSN
収録物識別子 00063495
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA00566095
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 10.1529/biophysj.107.111377
権利
権利情報 Copyright © 2008 The Biophysical Society. Published by Elsevier Inc. All rights reserved. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/
情報源
関連名称 Shin-ichi Fujiwara, Takashi Amisaki.. Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method. Biophysical journal. 2008, 94(1), 95-103
関連サイト
識別子タイプ URI
関連識別子 https://www.sciencedirect.com/science/article/pii/S0006349508707689
関連名称 https://www.sciencedirect.com/science/article/pii/S0006349508707689
著者版フラグ
出版タイプ AM
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