KMS Of Academy of mathematics and systems sciences, CAS
| 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 Publication | PHYSICAL REVIEW E
 |
| ISSN | 1063-651X |
| Volume | 55Issue:6Pages:7390-7395 |
| Abstract | 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. |
| Language | 英语 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Fluids & Plasmas ; Physics, Mathematical |
| WOS ID | WOS:A1997XG96600035 |
| Publisher | AMERICAN PHYSICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.amss.ac.cn/handle/2S8OKBNM/28938 |
| Collection | 中国科学院数学与系统科学研究院 |
| Corresponding Author | Chen, YZ |
| Affiliation | 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 |
| 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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