基于脂肪酸生物合成脂肪烃的酶催化脱羧及脱甲酰基机理研究

21773138
2017
B0301.化学理论与方法
刘永军
面上项目
教授
山东大学
65万元
反应机理;QM/MM;酶催化反应
2018-01-01到2021-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Mechanism of Uncoupled Carbocyclization and Epimerization Catalyzed by Two Non-Heme Iron/alpha-Ketoglutarate Dependent Enzymes 期刊论文 Li Hong;Zhu Wenyou;Liu Yongjun
2 Mechanism of Sulfoxidation and C-S Bond Formation Involved in the Biosynthesis of Ergothioneine Catalyzed by Ergothioneine Synthase (EgtB) 期刊论文 Ge Tian;Hao Su;Yongjun Liu
3 Formation Mechanism of Cofactor Cys−Tyr in the Cysteine Dioxygenases (CDO and F2‑CDO) and Its Influence on Catalysis: A QM/MM Study 期刊论文 Yijing Wang;Lijuan Yan;Xinyi Li;Shiqing Zhang;Jingjing Wei;Yongjun Liu
4 Mechanistic Insights into the P450 TleB-Catalyzed Unusual Intramolecular C−N Bond Formation Involved in the Biosynthesis of Indolactam V 期刊论文 Jingjing Wei;Yongjun Liu
5 Inactivation Mechanism of Neuronal Nitric Oxide Synthase by (S)‑2- Amino-5-(2-(methylthio)acetimidamido)pentanoic Acid: Chemical Conversion of the Inactivator in the Active Site 期刊论文 Lijuan Yan;Yijing Wang;Shiqing Zhang;Xinyi Li;Jingjing Wei;Zhiguo Wang;Yongjun Liu
6 Mechanical Insights into the Enzymatic Cleavage of Double C-C Bond in Poly(cis-1,4-isoprene) by the Latex Clearing Protein 期刊论文 Zhang Shiqing;Liu Yongjun
7 含铁酶催化脂肪酸脱羧制备脂肪烃的微观机理研究进展 期刊论文 张士清;刘永军
8 Mechanistic Insights into the Oxidative Rearrangement Catalyzed by the Unprecedented Dioxygenase ChaP Involved in Chartreusin Biosynthesis 期刊论文 Xinyi Li;Wenyou Zhu;Yongjun Liu
9 Insights into the Mechanism and Enantioselectivity in the Biosynthesis of Ergot Alkaloid Cycloclavine Catalyzed by Aj_EasH from Aspergillus japonicus 期刊论文 Lijuan Yan;Yongjun Liu
10 Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1 from Novosphingobium aromaticivorans: confirmation of dioxygenase mechanism by QM/MM calculations 期刊论文 Jie Bai;Qianqian Hou;Wenyou Zhu;Yongjun Liu
11 Computational evidence for the importance of lysine carboxylation in the reaction catalyzed by carboxyl transferase domain of pyruvate carboxylase: a QM/MM study 期刊论文 Xiang Sheng;Qianqian Hou;Yongjun Liu
12 Oxidative Rearrangement Mechanism of Pentalenolactone F Catalyzed by Cytochrome P450 CYP161C2 (PntM) 期刊论文 Wang Xiya;Shi Junyou;Liu Yongjun
13 Conversion mechanism of enoyl thioesters into acyl thioesters catalyzed by 2-enoyl-thioester reductases from Candida Tropicalis 期刊论文 Ling Baoping;Li Hong;Yan Lijuan;Liu Rutao;Liu Yongjun
14 A DFT Study on the Reaction Mechanism Involved in the Synthesis of Sodium Azide via Hydrazine Hydrate Method 期刊论文 SUN Hua-Yun;Li Minf-Jing;LIU Yong-Jun
15 Mechanism of fatty acid decarboxylation catalyzed by a non-heme iron oxidase (UndA): a QM/MM study 期刊论文 Zhang Shiqing;Liu Yongjun
16 Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes 期刊论文 Hao Su;Guangcai Ma;Yongjun Liu
17 Computational Study of the C5-Hydroxylation Mechanism Catalyzed by the Diiron Monooxygenase PtmU3 as Part of the Platensimycin Biosynthesis 期刊论文 Shiqing Zhang;Xinyi Li;Yijing Wang;Lijuan Yan;Jingjing Wei;Yongjun Liu
18 Protonation state and fine structure of the active site determine the reactivity of dehydratase: hydration and isomerization of -myrcene catalyzed by linalool dehydratase/isomerase from Castellaniella defragrans 期刊论文 Ling Baoping;Wang Xiya;Su Hao;Liu Rutao;Liu Yongjun
19 Insights into the decarboxylative hydroxylation of salicylate catalyzed by the Flavin‑dependent monooxygenase salicylate hydroxylase 期刊论文 Xiya Wang;Qianqian Hou;Yongjun Liu
20 Mechanistic Insights into the Oxidative Ring Expansion from Penicillin N to Deacetoxycephalosporin C Catalyzed by a Nonheme Iron(11) and alpha-KG-Dependent Oxygenase 期刊论文 Liu Yaru;Shi Junyou;Liu Yongjun
21 Catalytic mechanism of the PrhA (V150L/A232S) double mutant involved in the fungal meroterpenoid biosynthetic pathway: a QM/MM study 期刊论文 Bai Jie;Yan Lijuan;Liu Yongjun
22 Insights into the dioxygen activation and catalytic mechanism of the nickel-containing quercetinase 期刊论文 Li Hong;Wang Xiya;Tian Ge;Liu Yongjun
23 The Retaining Mechanism of Xylose Transfer Catalyzed by Xyloside α‑1,3-Xylosyltransferase (XXYLT1): a Quantum Mechanics/Molecular Mechanics Study 期刊论文 Lijuan Yan;Yongjun Liu
24 Constructing a synthetic pathway for acetylcoenzyme A from one-carbon through enzyme design 期刊论文 Lu Xiaoyun;Liu Yuwan;Yang Yiqun;Wang Shanshan;Wang Qian;Wang Xiya;Yan Zhihui;Cheng Jian;Liu Cui;Yang Xue;Luo Hao;Yang Sheng;Gou Junran;Ye Luzhen;Lu Lina;Zhang Zhidan;Guo Yu;Nie Yan;Lin Jianping;Li Sheng;Tian Chaoguang;Cai Tao;Zhuo Bingzhao;Ma Hongwu;Wang Wen;Ma Yanhe;Liu Yongjun;Li Yin;Jiang Huifeng
25 Mechanistic Investigation of Isonitrile Formation Catalyzed by the Nonheme Iron/α-KG-Dependent Decarboxylase (ScoE) 期刊论文 Hong Li;Yongjun Liu
26 Theoretical Study of Iron Porphyrin Nitrene: Formation Mechanism, Electronic Nature, and Intermolecular C-H Amination 期刊论文 Li Xinyi;Dong Lihua;Liu Yongjun
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