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Chen, YZ; Zhang, YL; Chen, YZ , ACAD SINICA,INST THEORET PHYS,BEIJING 100080,PEOPLES R CHINA.
Calculation of the binding affinity of the anticancer drug daunomycin to DNA by a statistical mechanics approach
发表期刊PHYSICAL REVIEW E
关键词B-dna Intercalation Equilibrium Specificity Copolymers Field
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.
1997
ISSN1063-651X
卷号55期号:6页码:7390-7395
学科领域Physics
收录类别SCI
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/12475
专题理论物理所科研产出_SCI论文
通讯作者Chen, YZ , ACAD SINICA,INST THEORET PHYS,BEIJING 100080,PEOPLES R CHINA.
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GB/T 7714
Chen, YZ,Zhang, YL,Chen, YZ , ACAD SINICA,INST THEORET PHYS,BEIJING 100080,PEOPLES R CHINA.. 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,&Chen, YZ , ACAD SINICA,INST THEORET PHYS,BEIJING 100080,PEOPLES R CHINA..(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.
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