紫杉醇
化学
对接(动物)
结合位点
血浆蛋白结合
人血清白蛋白
白蛋白
侧链
药品
血清白蛋白
立体化学
药理学
生物化学
癌症
有机化学
内科学
医学
护理部
聚合物
作者
Krisztina Paál,Aliaksei Shkarupin,Laura Beckford
标识
DOI:10.1016/j.bmc.2006.11.012
摘要
A computational approach was used to study the interaction of the potent anticancer drug paclitaxel (Taxol®) with human serum albumin. The primary and secondary binding sites were located at the interface of subdomains IIA and IIIA, and in the cleft between domains I and III of the protein, respectively. The C13 side chain and the baccatin core of paclitaxel were found to contribute approximately equally to the binding energy at the primary site, whereas the binding mode appears to be governed by the C13 side chain.
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