教师信息

马广才

[日期:2016-06-12] 来源: 作者:

姓名

马广才

部门

地环学院

职称

讲师

职务

 

学历

博士

学术职务

 

办公电话

 

Email

magc@zjnu.cn

个人主页

 

研究方向

理论与计算化学、计算毒理学

个人简介

马广才,1988年出生,安徽阜阳人,博士。主要从事于有机污染物在生物体内蛋白酶中催化代谢过程和机理的计算研究工作。在攻读博士学位期间,作为骨干成员参与了“alpha-糖苷酶与糖苷合成酶的催化机理研究”等3个国家自然科学基金面上项目的研究先后在 J. Am. Chem. Soc., ACS Catal.等期刊发表 SCI论文10多篇。

研究简介

酶是由细胞产生的大分子生物催化剂。细胞中绝大部分的新陈代谢过程的发生都依赖酶的参与以提高催化效率,维持正常的生命活动。酶分子中直接与底物结合并起催化作用的关键区域是酶的活性中心(图1),其中一般包括一些氨基酸残基的侧链以及部分辅酶或辅基。我们主要利用量子化学(QM)方法以及量子力学与分子力学结合(QM/MM)的方法研究一些外源性有机化合物(如环境污染物和药物)在酶活性位点的结合方式及代谢机制(图2),确定酶催化的最优路径、反应过程中涉及到的过渡态和中间体的结构以及相关的能量学信息,并阐明酶活性中心关键残基的重要作用,为外源性有机化合物在生命体中的代谢途径研究提供理论基础。

1酶晶体结构及催化位点示意图

2酶催化底物代谢示意图

工作学习经历

2016.07−  今,浙江师范大学,地理与环境科学学院环境科学系,讲师;

2011.09−2016.06,山东大学,化学与化工学院,博士;

2007.09−2011.06,安徽师范大学,化学与材料科学学院,学士。

论文论著 (*标识为通讯作者)

1.    Xiaohua Chen*(导师), Guangcai Ma, Weichao Sun, Hongjing Dai, Dong Xiao, Yanfang Zhang, Yongjun Liu*, and Yuxiang Bu. Water promoting electron hole transport between tyrosine and cysteine in proteins via a special mechanism: double proton coupled electron transfer. J. Am. Chem. Soc., 2014, 136, 4515−4524. (SCI 1top, IF2015= 13.038, 链接)

2.    Guangcai Ma, Wenyou Zhu, Hao Su, Na Cheng, Yongjun Liu*. Uncoupled epimerization and desaturation by carbapenem synthase: mechanistic insights from QM/MM studies. ACS Catal., 2015, 5, 5556–5566. (SCI 1top, IF2015= 9.307, 链接)

3.    Beibei Lin, Guangcai Ma, Liu, Yongjun Liu*. Mechanism of the Glutathione Persulfide Oxidation Process Catalyzed by Ethylmalonic Encephalopathy Protein 1. ACS Catal., 2016, 6, 7010–7020. (SCI 1top, IF2015= 9.307, 链接)

4.    Guangcai Ma,Wenyou Zhu, Yongjun Liu*. QM/MM studies on the calcium-assisted β-elimination mechanism of pectate lyase from bacillus subtilis. Proteins-structure Function & Bioinformatics, 2016, 84, 1606–1615. (SCI 3, IF2015=2.499, 链接)

5.    Guangcai Ma, Na Cheng, Hao Su, Yongjun Liu*. Exploring the substrate-assisted acetylation mechanism by UDP-linked sugar N-acetyltransferase from QM/MM calculations: the role of residue Asn84 and the effects of starting geometries.RSC Adv., 2015, 5, 7781–7788. (SCI 2, IF2015= 3.289, 链接)

6.    Guangcai Ma, Lihua Dong, Yongjun Liu*. Insights into the catalytic mechanism of dTDP-glucose 4,6-dehydratase from quantum mechanics/molecular mechanics simulations. RSC Adv., 2014, 4, 35449–35458. (SCI 2, IF2015= 3.289, 链接)

7.    Guangcai Ma, and Yongjun Liu*. The reaction mechanism of UDP-GlcNAc 5,6-dehydratase:  a quantum mechanical/molecular mechanical (QM/MM) study. Theor. Chem. Acc., 2014, 133, 1524. (SCI 3, IF2015= 1.806, 链接)

8.    Guangcai Ma, Yulin Li, Lixin Wei, Yongjun Liu*, and Chengbu Liu. A density functional theory study on the catalytic mechanism of hydroxycinnamoyl-CoA hydratase-lyase. Int. J. Quantum Chem., 2014, 114, 249–254. (SCI 4, IF2015= 2.184, 链接)

9.    Shujun Zhang, Hao Su, Guangcai Ma, Yongjun Liu*. Quantum mechanics and molecular mechanics study of the reaction mechanism of quorum quenching enzyme: N-acyl homoserine lactonase with C6-HSL. RSC Adv., 2016, 6, 23396–23402. (SCI 2, IF2015= 3.289, 链接)

10.Beibei Lin, Hao Su, Guangcai Ma, Yongjun Liu*, Qianqian Hou. Theoretical study of the hydrolysis mechanism of dihydrocoumarin catalyzed by serum paraoxonase 1 (PON1): different roles of Glu53 and His115 for catalysis. RSC Adv., 2016, 6, 60376–60384. (SCI 2, IF2015= 3.289, 链接)

11.Shujun Zhang, Guangcai Ma, Yongjun Liu*, and Baoping Ling. Theoretical study of the hydrolysis mechanism of 2-pyrone-4, 6-dicarboxylate (PDC) catalyzed by LigI. J. Mol. Graph. Model., 2015, 61, 21−29. (SCI 4, IF2015= 1.674, 链接)

学术报告

1. 2014.06,第十二届全国量子化学会议,山西太原,墙报。

教学情况

为本科生(中文班和英文班)主讲《环境统计与软件应用》和《大学化学》等课程。

 

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