Paclitaxel binding to human serum albumin - Automated docking studies

被引：36
|
作者：
Paal, Krisztina [1 ]
Shkarupin, Aliaksei [1 ]
Beckford, Laura [1 ]
机构：
[1] Uni Ontario, Fac Sci, Inst Technol, Oshawa, ON L1H 7K4, Canada
来源：
BIOORGANIC & MEDICINAL CHEMISTRY | 2007年 / 15卷 / 03期
关键词：
automated docking; binding site; human serum albumin; paclitaxel;
D O I：
10.1016/j.bmc.2006.11.012
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
A computational approach was used to study the interaction of the potent anticancer drug paclitaxel (Taxol((R))) 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 C 13 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. (c) 2006 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1323 / 1329
页数：7
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