کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5395049 | 1505649 | 2011 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical studies on the DNA-intercalator properties of Co(III) polypyridyl complexes
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical studies on the DNA-intercalator properties of Co(III) polypyridyl complexes Theoretical studies on the DNA-intercalator properties of Co(III) polypyridyl complexes](/preview/png/5395049.png)
چکیده انگلیسی
⺠The optimized-in-aqueous-solution geometry structures of complexes 1 and 2 were docked into DNA using the Dock6.0 program. ⺠The whole models (complex-DNA) were obtained. ⺠The trend in DNA-binding affinities of complexes was reasonably explained by the DNA-binding energies and strong H-bonds. ⺠The electronic absorption spectra of DNA-docking models were calculated and simulated using the TDDFT method. ⺠The intense absorption spectra measured experimentally of Co(Ш) complexes intercalating DNA can be explained in detail.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 976, Issues 1â3, 1 December 2011, Pages 209-214
Journal: Computational and Theoretical Chemistry - Volume 976, Issues 1â3, 1 December 2011, Pages 209-214
نویسندگان
Ti-Fang Miao, Shuang Li, Lian-Cai Xu, Kang-Cheng Zheng,