DNA binding studies of antibiotic drug cephalexin using spectroscopic and molecular docking techniques

被引：20
|
作者：
Shahabadi, Nahid [1 ,2 ]
Hashempour, Shokoufeh [1 ]
机构：
[1] Razi Univ, Fac Chem, Dept Inorgan Chem, Kermanshah, Iran
[2] Kermanshah Univ Med Sci, MBRC, Kermanshah, Iran
来源：
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS | 2019年 / 38卷 / 06期
关键词：
Cephalexin; DNA binding; groove binding; spectroscopic techniques; molecular docking; CALF THYMUS DNA; CRYSTAL-STRUCTURE; B-FORM; COMPLEXES; PHOTOSENSITIZER; DERIVATIVES; NI(II); CU(II); MODE;
D O I：
10.1080/15257770.2018.1562071
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：
The purpose of this study was to explore an accurate characterization of the binding interaction of antibiotic drug cephalexin with calf thymus DNA (CT-DNA) as a relevant biological target by using UV absorption, fluorescence spectroscopy and circular dichroism (CD) in vitro under simulated physiological conditions (pH = 7.4) and also through a molecular modeling study. The results showed that the drug interacts with the DNA helix via a minor groove binding mode. The thermodynamic parameters were calculated and showed that the reaction between the drug and CT-DNA was exothermic. In addition, the drug enforced traceable changes in the viscosity of DNA. The molecular modeling results indicated that cephalexin forcefully binds to the minor groove of DNA with a relative binding energy of -21.02 kJ mol(-1). The obtained theoretical results were in good agreement with those obtained from experimental studies.
引用
收藏
页码：428 / 447
页数：20
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