Analysis of binding energies between luciferin and luciferase adsorbed on Si surface by docking simulations

Katsuhiko Nishiyama; Takanobu Watanabe; Tadatsugu Hoshino; Iwao Ohdomari

doi:10.1016/j.cplett.2007.03.039

Analysis of binding energies between luciferin and luciferase adsorbed on Si surface by docking simulations

Katsuhiko Nishiyama^*, Takanobu Watanabe, Tadatsugu Hoshino, Iwao Ohdomari

^*この研究の対応する著者

基幹理工学部

研究成果: Article › 査読

抄録

The binding energies between luciferin and luciferase adsorbed on a Si surface were estimated by docking simulations. These binding energies were more stable on a hydrophilic Si surface than on a hydrophobic Si surface, but their difference was small. Luciferase adsorbed more strongly on the hydrophobic Si surface than on the hydrophilic Si surface. The luciferase active site was not covered by the Si surface in this adsorption state. The hydrophobic surface would be suitable for the immobilization of luciferase both from the viewpoints of the binding of luciferin to luciferase and the adsorption of luciferase to the Si surface.

本文言語	English
ページ（範囲）	148-150
ページ数	3
ジャーナル	Chemical Physics Letters
巻	439
号	1-3
DOI	https://doi.org/10.1016/j.cplett.2007.03.039
出版ステータス	Published - 2007 5月 4

ASJC Scopus subject areas

物理学および天文学（全般）
物理化学および理論化学

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10.1016/j.cplett.2007.03.039

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abstract = "The binding energies between luciferin and luciferase adsorbed on a Si surface were estimated by docking simulations. These binding energies were more stable on a hydrophilic Si surface than on a hydrophobic Si surface, but their difference was small. Luciferase adsorbed more strongly on the hydrophobic Si surface than on the hydrophilic Si surface. The luciferase active site was not covered by the Si surface in this adsorption state. The hydrophobic surface would be suitable for the immobilization of luciferase both from the viewpoints of the binding of luciferin to luciferase and the adsorption of luciferase to the Si surface.",

author = "Katsuhiko Nishiyama and Takanobu Watanabe and Tadatsugu Hoshino and Iwao Ohdomari",

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AU - Nishiyama, Katsuhiko

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AU - Hoshino, Tadatsugu

AU - Ohdomari, Iwao

N1 - Funding Information: This study is supported by a Grant-in-Aid for Center of Excellence (COE) Research from the Ministry of Education, Culture, Sports, Science and Technology, by a Grant for the Promotion of the Advancement of Education and Research in Graduate Schools from the Promotion and Mutual Aid Corporation for Private Schools of Japan, and by JST-PRESTO.

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N2 - The binding energies between luciferin and luciferase adsorbed on a Si surface were estimated by docking simulations. These binding energies were more stable on a hydrophilic Si surface than on a hydrophobic Si surface, but their difference was small. Luciferase adsorbed more strongly on the hydrophobic Si surface than on the hydrophilic Si surface. The luciferase active site was not covered by the Si surface in this adsorption state. The hydrophobic surface would be suitable for the immobilization of luciferase both from the viewpoints of the binding of luciferin to luciferase and the adsorption of luciferase to the Si surface.

AB - The binding energies between luciferin and luciferase adsorbed on a Si surface were estimated by docking simulations. These binding energies were more stable on a hydrophilic Si surface than on a hydrophobic Si surface, but their difference was small. Luciferase adsorbed more strongly on the hydrophobic Si surface than on the hydrophilic Si surface. The luciferase active site was not covered by the Si surface in this adsorption state. The hydrophobic surface would be suitable for the immobilization of luciferase both from the viewpoints of the binding of luciferin to luciferase and the adsorption of luciferase to the Si surface.

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Analysis of binding energies between luciferin and luciferase adsorbed on Si surface by docking simulations

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