Development of Evaluation System by Analyzing Molecular Mechanical Adaptation Function of Biomimetics Material

仿生材料分子力学适应功能评价体系的开发

• 批准号: 08555029
• 负责人: NAKAMACHI Eiji
• 金额: $ 4.1万
• 依托单位: Osaka Institute of Technology
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 1996
• 资助国家: 日本
• 起止时间: 1996 至 1998
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08555029/
• 关键词: biomimeticsmaterial; biomaterial; remodeling; self-recovering function; bio-tissue; molecular mechanics analysis; molecular dynamics analysis; muscle and bone tissues; 筋・骨細胞; バイオミメティックス; 筋細胞; 骨細胞

In this research, the evaluation system by analyzing molecular mechanical adaptation function of the bioimmetics material has been developed. The main results of this research is the development of analytical tool to evaluate the mechanical function of muscle and bone tissue, by employing the molecular mechanics(MM) and molecular dynainics(MD) simulations. We investigate the conformations -3-D atom coordinates - at the minimum potential energy of the acto-rnyosin hyper-molecular system and the collagen-hydroxyapatite(HAP) complex molecule. From the comparison between the actomyosin(normal model) and off-peptidebonding of actomyosin both with ATP , the role of ATP was confirmed for the structure stability and activation to motivate the relative sliding motion, which generate the muscle contraction in case of the normal model. The values of isothermal compressibility obtained by the molecular structure analysis shows good agreement with the experimental one.MM and MD analyses of the collagen-HAP complex molecule, by employing the cross-linking and off-bonding of collagen fibrils, shows that the cross-link of the collagen fiber cause the higher mode fluctuation at the molecular level and might activate the formation of the bone tissue in the remodeling cycle.

本研究通过分析仿生材料的分子力学适应功能，建立了评价体系。本研究的主要成果是通过分子力学（MM）和分子动力学（MD）模拟，开发了评估肌肉和骨组织力学功能的分析工具。本文研究了肌动蛋白超分子体系和胶原-羟基磷灰石复合物分子在最低势能下的三维原子坐标构象。从肌动球蛋白（正常模型）和肌动球蛋白与ATP的脱肽键合之间的比较中，证实了ATP对于结构稳定和激活以激发相对滑动运动的作用，在正常模型的情况下，相对滑动运动产生肌肉收缩。通过对胶原-HAP复合物分子的MM和MD分析，利用胶原纤维的交联和脱粘，发现胶原纤维的交联引起了分子水平上的高模波动，并可能激活了骨组织在重塑周期中的形成。

项目成果

粟津邦男, 仲町英治: "骨格筋細胞の適応機能評価に関する基礎的検討" 日本バイオレオロジー学会誌. 12-4. 255-258 (1998)

Kunio Awazu，Eiji Nakamachi：“骨骼肌细胞适应性功能评估的基础研究”日本生物流变学会杂志12-4（1998）。

仲町英治, 山田哲也: "生体高分子アクトミオシン系の運動機構解明のための分子シミュレーション" 日本機械学会講演論文集. 984-1. 4-13-4-14 (1998)

Eiji Nakamachi、Tetsuya Yamada：“阐明生物聚合物肌动球蛋白系统运动机制的分子模拟”日本机械工程师学会会议记录 984-1（1998）。

Yoshiaki Hirano, Kiyonobu Madenokouji, Akio Nakajima, Masahito Oka, and Toshio Hayashi: "Synthesis and evaluation of cell-attachment activity of RGDS-related molecules" Transactions of the Materials Research Society of Japan. Vol.20. 9-12 (1996)

Yoshiaki Hirano、Kiyonobu Madenokouji、Akio Nakajima、Masahito Oka 和 Toshio Hayashi：“RGDS 相关分子的细胞附着活性的合成和评估”日本材料研究学会汇刊。

仲町英治, 宮本靖幸: "分子構造解析による骨コラーゲン原線維の形成・分解発現メカニズムの解明" 日本機械学会講演論文集. 984-1. 4-15-4-16 (1998)

Eiji Nakamachi、Yasuyuki Miyamoto：“通过分子结构分析阐明骨胶原原纤维的形成和降解机制”日本机械工程师学会会议记录 984-1（1998）。

Yoshiaki HIRANO,Yuichi TAKAYOSHI,Kunio GOTO,Akio NAKAJIMA,Masahito OKA and Toshio HAYASHI: "Conformational Analysis on Model Polypeptides for Repetitive Portion of Am elogenin from Bovine Tooth Enamel" Abstracts of 36th IUPAC International Symposium on Ma

Yoshiaki HIRANO,Yuichi TAKAYOSHI,Kunio GOTO,Akio NAKAJIMA,Masahito OKA和Toshio HAYASHI：“Conformational Analysis on Model Polypeptides for Repetitive Partion of Am elogenin from Bovine Tooth Enamel”第36届IUPAC国际马术研讨会摘要