Solution studies on the complex of 4′-epiadriamycin-d-(CGATCG)2 followed by time-resolved fluorescence measurement, diffusion ordered spectroscopy and restrained molecular dynamics simulations

被引：4
|
作者：
Agrawal, Prashansa [1 ]
Barthwal, Sudhir Kumar [2 ]
Govil, Girjesh [3 ]
Barthwal, Ritu [1 ]
机构：
[1] Indian Inst Technol, Dept Biotechnol, Roorkee 247667, Uttar Pradesh, India
[2] Indian Inst Technol, Dept Phys, Roorkee 247667, Uttar Pradesh, India
[3] Tata Inst Fundamental Res, Chem Phys Grp, Bombay 400005, Maharashtra, India
来源：
BIOORGANIC & MEDICINAL CHEMISTRY | 2009年 / 17卷 / 07期
关键词：
4 '-Epiadriamycin-d(CGATCG)(2) complex; Nuclear magnetic resonance spectroscopy; Time-resolved fluorescence measurement; Diffusion ordered spectroscopy and restrained molecular dynamics; NUCLEAR-MAGNETIC-RESONANCE; DNA-DRUG-INTERACTIONS; ANTHRACYCLINE ANTIBIOTICS; CRYSTAL-STRUCTURE; DAUNOMYCIN; SEQUENCE; INTERCALATION; ADRIAMYCIN; BINDING; RESOLUTION;
D O I：
10.1016/j.bmc.2009.02.032
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：
4'-Epiadriamycin is a better-tolerated anthracycline drug, due to lesser cardiotoxicity. We report here a study of the 2: 1 complex of 4'-epiadriamycin-d-(CGATCG)(2) by proton Nuclear Magnetic Resonance Spectroscopy which show the absence of sequential connectivities between C1pG2 and C5pG6 base pair steps and presence of intermolecular cross peaks of the drug and DNA. Our studies establish the role of 9OH, NH3+, 7O, 4OCH(3) groups in binding to DNA. Time-resolved fluorescence measurement and diffusion ordered spectroscopic studies reveal the formation of complex. The nonspecific interactions as well as those essential for biological activity are discussed along with its medicinal importance. (c) 2009 Elsevier Ltd. All rights reserved.
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收藏
页码：2793 / 2811
页数：19
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