Carcinogen-base stacking and base-base stacking in dCpdG modified by (+) and (-) anti-BPDE.

Carcinogen-base stacking and base-base stacking in dCpdG modified by (+) and (-) anti-BPDE.
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( ) 和 (-) 抗 BPDE 修饰的 dCpdG 中的致癌物碱基堆积和碱基堆积。

DOI:
10.1002/bip.360241209
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发表时间:
1985
期刊:
影响因子:
2.9
通讯作者:
Broyde,S
Broyde,S
中科院分区:
生物学4区
文献类型:
--
作者:
Hingerty,BE;Broyde,S

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The low‐energy conformations accessible to dCpdG modified at guanine N2viatransepoxide opening by (+) and (−) 7β,8α‐dihydroxy‐9α,10α‐epoxy‐7,8,9,10‐tetrahydrobenzo(a)pyrene (anti‐BPDE) have been delineated by minimized semiempirical potential‐energy calculations with all torsion angles flexible. Nearly 4000 trials were made, representing a fairly thorough investigation of the conformation space of the adducts. Carcinogen–base stacked states and base–base stacked conformers were found in the low‐energy regions of both enantiomers. Many ω′, ω, ψ domains accommodate the two types of conformations, with B‐like backbones among the most preferred states in each case. The conformational differences between the two enantiomers on the dimer level reside in subtle distinctions in orientation of the carcinogen–base linkage.
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