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| Mechanism of Catalytic Hydrolysis Cleavage of RNA Phosphodiester Analogue HpPNP by Corrole Manganese(Ⅲ) Complex |
| Author Name | Affiliation | E-mail | | LI Jiao | Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China | | | XU Yan | Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China | | | XU Xuan | Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China | | | XU Zhi-Guang | Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China | chzgxu@scnu.edu.cn | | LIU Hai-Yang | 1 Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China
School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510641, China | chhyliu@scut.edu.cn |
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| Abstract: The mechanism of catalytic hydrolysis cleavage of RNA phosphodiester analogue 2-(hydroxypropyl)-4-nitrophenyl phosphate (HpPNP) by corrole manganese(Ⅲ) complex were studied by density functional theory B3LYP method. And the influence of the reaction energy barrier for the property and number of the meso-substituents were also investigated. The results show that the fracture reaction is carried out by special base catalysis (SBC) mechanism, and the corrole manganese(Ⅲ) complex forms a unique transition state structure of double hydrogen bond and double coordination with HpPNP, and then the product is formed after the P-O bond is broken. Corrole manganese(Ⅲ) complexes with electron-absorbing substituents can reduce the energy barrier by 4% to 34% compared with that without catalyst. The electron absorbing substituent effect in corrole manganese(Ⅲ) complexes can significantly reduce the reaction energy barrier and promote the hydrolysis fracture reaction. |
| Keywords: corrole manganese RNA 2-(hydroxypropyl)-4-nitrophenyl phosphate hydrolysis mechanism substituent effect |
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| LI Jiao,XU Yan,XU Xuan,XU Zhi-Guang,LIU Hai-Yang.Mechanism of Catalytic Hydrolysis Cleavage of RNA Phosphodiester Analogue HpPNP by Corrole Manganese(Ⅲ) Complex[J].Chinese Journal of Inorganic Chemistry,2020,36(3):435-442. |
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