Linhardt R J, Merchant Z M, Rice K G, Kim Y S, Fitzgerald G L, Grant A C, Langer R
Biochemistry. 1985 Dec 17;24(26):7805-10. doi: 10.1021/bi00347a045.
The first use of computer-simulation studies to examine heparin's structure has been reported. The product distributions obtained when porcine mucosal heparins were depolymerized with heparinase have been compared to computer-simulated distributions. The modeled distribution was relatively unaffected by the polydispersity and molecular weight of heparin. However, the percent of heparinase-cleavable glycosidic linkages and their distribution throughout the polymer resulted in a marked change in the simulated product distribution. The similarity between experimentally observed and computer-simulated product distributions is consistent with the random distribution of heparinase-cleavable sites in porcine mucosal heparin. Finally, a random distribution of N-acetyl residues with respect to heparinase-cleavable sites was experimentally observed.
据报道，首次利用计算机模拟研究来检测肝素的结构。已将猪黏膜肝素用肝素酶解聚时获得的产物分布与计算机模拟分布进行了比较。模拟分布相对不受肝素多分散性和分子量的影响。然而，肝素酶可裂解糖苷键的百分比及其在整个聚合物中的分布导致模拟产物分布发生显著变化。实验观察到的产物分布与计算机模拟产物分布之间的相似性与猪黏膜肝素中肝素酶可裂解位点的随机分布一致。最后，通过实验观察到N - 乙酰残基相对于肝素酶可裂解位点的随机分布。
