3-DIMENSIONAL ENERGY-MINIMIZED MODEL OF HUMAN TYPE-II SMITH COLLAGEN MICROFIBRIL
3-DIMENSIONAL ENERGY-MINIMIZED MODEL OF HUMAN TYPE-II SMITH COLLAGEN MICROFIBRIL
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DOI：
10.1080/07391102.1995.10508804
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发表时间：
1995-06-01
影响因子：
4.4
通讯作者：
PINCUS, MR
中科院分区：
文献类型：
--
作者：
CHEN, JM;SHELDON, A;PINCUS, MR
描述了一种基于微原纤维模型构建形成纤维的人II型胶原的三维模型的过程。这个模型是由五个单独的胶原蛋白三螺旋分子组成的复合体，并基于已知的胶原蛋白结构参数。用实验数据和理论数据作为约束条件来指导建模。由此得到的II型胶原纤维模型与II型纤维实验染色模式所产生的物理和化学特征是一致的。第二类模型的一些优点是考虑了所有侧链基团的立体化学，并且现在可以研究特定的原子相互作用。该模型可用于：胶原蛋白相关疾病的治疗药物的开发；合成胶原蛋白组织的开发；治疗胶原蛋白相关产品的化学试剂(即鞣剂)的设计；以及II型胶原蛋白的结构和功能方面的研究。描述了使用分子建模工具开发II型胶原的Smith微原纤维的过程，通过对原纤维染色图案的电子显微镜图像的比较对模型进行了验证，以及该微原纤维模型的一些应用。
A procedure is described for constructing a three-dimensional model of fibril-forming human type II collagen based on the ''Smith'' microfibril model. This model is a complex of five individual collagen triple-helical molecules, and is based on known structural parameters for collagen. Both experimental and theoretical data were used as constraints to guide the modeling. The resulting fibril model for type II collagen is in agreement with both physical and chemical characteristics produced by experimental staining patterns of type II fibrils. Some advantages of the type II model are that the stereochemistry of all the sidechain groups is accounted for, and specific atomic interactions can now be studied. This model is useful for: development of therapeutics for collagen related diseases; development of synthetic collagen tissues; design of chemical reagents (i.e., tanning agents) to treat collagen-related products; and study of the structural and functional aspects of type II collagen. Described is the procedure by which the Smith microfibril of type II collagen was developed using molecular modeling tools, validation of the model by comp arisen to electron-microscopic images of fibril staining patterns, and some applications of this microfibril model.