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Insight into the Stereocontrol of DNA Polymerase-Catalysed Reaction by Chiral Cobalt Complexes
Advanced Synthesis & Catalysis ( IF 5.4 ) Pub Date : 2022-06-12 , DOI: 10.1002/adsc.202200418
Ya Wu 1 , Xinya Bu 2 , Yongqi Ke 2 , Huaming Sun 1 , Jingyao Li 2 , Lu Chen 2 , Wei Cui 2 , Yujian He 2 , Li Wu 3
Affiliation  

Enantiomers of chiral substances typically have distinct biological activities, thus, the explorations of biochemical processes at the enantiomeric level has very high significance. This study investigated DNA polymerase–catalyzed reaction modulated by various types of chiral cobalt complexes. The experimental data showed that polymerase reactions were inhibited or accelerated in the presence of K[Co(edta)] ⋅ 2H2O or [Co(en)3]I3 ⋅ H2O. More importantly, the stereocontrol of bioreactivity was found to be different for the enantiomers, which was reflected in their ability to bind to the polymerase reaction system. The docking simulation illustrated that the acceleration or inhibition of polymerase reaction could be correlated with diverse electrostatic energy induced by the attached metal chelates, whereas the different stereocontrol of bioreactivity for the enantiomers was attributed to a discrepancy of Van der Waals interactions between the enantiomer and polymerase catalytic sites.

中文翻译:

洞察手性钴配合物对 DNA 聚合酶催化反应的立体控制

手性物质的对映体通常具有不同的生物活性,因此在对映体水平上对生化过程的探索具有非常重要的意义。本研究调查了由各种类型的手性钴配合物调节的 DNA 聚合酶催化反应。实验数据表明,在 K[Co(edta)] ⋅ 2H 2 O 或 [Co(en) 3 ]I 3  ⋅ H 2存在下,聚合酶反应被抑制或加速。O. 更重要的是,发现对映异构体的生物反应性立体控制是不同的,这反映在它们与聚合酶反应系统结合的能力上。对接模拟表明聚合酶反应的加速或抑制可能与附着的金属螯合物诱导的不同静电能相关,而对映体生物反应性的不同立体控制归因于对映体和聚合酶之间范德华相互作用的差异催化位点。
更新日期:2022-06-12
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