Calculation of the binding affinity of the anticancer drug daunomycin to DNA by a statistical mechanics approach

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	Calculation of the binding affinity of the anticancer drug daunomycin to DNA by a statistical mechanics approach
	Chen, YZ ; Zhang, YL
	1997-06-01
发表期刊	PHYSICAL REVIEW E
ISSN	1063-651X
卷号	55 期号:6 页码:7390-7395
摘要	Equilibrium binding constants of the anticancer drug daunomycin, bound to several GC containing polymeric DNAs (G represent guanine and C cytosine), are calculated by means of a microscopic statistical mechanics approach and based on observed x-ray crystal structures. Our calculation shows base sequence specificity of daunomycin in agreement with the observations. We find the drug binding constant to be sensitive to the base composition of the host sequence. The binding stability decreases in the order of CGTACG, CGATCG, and CGGCCG, which is consistent with observations (T represents thymine and A adenine). This binding specificity arises from sequence specific hydrogen bond and nonbonded interactions between the drug and a host DNA. These interactions are affected by sequence specific structural features exhibited from x-ray crystallography. The agreement between our calculations and experiments shows that our method is of practical application in analyzing sequence specific binding stability of anticancer drugs.
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Fluids & Plasmas ; Physics, Mathematical
WOS记录号	WOS:A1997XG96600035
出版者	AMERICAN PHYSICAL SOC
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/28938
专题	中国科学院数学与系统科学研究院
通讯作者	Chen, YZ
作者单位	1.CHINESE ACAD SCI,STATE KEY LAB SCI & ENGN COMP,BEIJING 100080,PEOPLES R CHINA 2.PURDUE UNIV,DEPT PHYS,W LAFAYETTE,IN 47907 3.UNIV TOLEDO,DEPT PHYS & ASTRON,TOLEDO,OH 43606
推荐引用方式 GB/T 7714	Chen, YZ,Zhang, YL. Calculation of the binding affinity of the anticancer drug daunomycin to DNA by a statistical mechanics approach[J]. PHYSICAL REVIEW E,1997,55(6):7390-7395.
APA	Chen, YZ,&Zhang, YL.(1997).Calculation of the binding affinity of the anticancer drug daunomycin to DNA by a statistical mechanics approach.PHYSICAL REVIEW E,55(6),7390-7395.
MLA	Chen, YZ,et al."Calculation of the binding affinity of the anticancer drug daunomycin to DNA by a statistical mechanics approach".PHYSICAL REVIEW E 55.6(1997):7390-7395.