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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
Source PublicationPHYSICAL REVIEW E
ISSN1063-651X
Volume55Issue:6Pages:7390-7395
AbstractEquilibrium 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.
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Fluids & Plasmas ; Physics, Mathematical
WOS IDWOS:A1997XG96600035
PublisherAMERICAN PHYSICAL SOC
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.amss.ac.cn/handle/2S8OKBNM/28938
Collection中国科学院数学与系统科学研究院
Affiliation1.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
Recommended Citation
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.
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