Drug Metabolism by Cytochrome P450 Enzymes: What Distinguishes the Pathways Leading to Substrate Hydroxylation Over Desaturation?

被引:3
作者
Ji, Li
Faponle, Abayomi S.
Quesne, Matthew G.
Sainna, Mala A.
Zhang, Jing
Franke, Alicja
Kumar, Devesh
van Eldik, Rudi
Liu, Weiping
de Visser, Sam P.
机构
[1] College of Environmental and Resource Sciences, Zhejiang University, Yuhangtang Road 866, Hangzhou
[2] Manchester Institute of Biotechnology, School of Chemical Engineering and Analytical Science, University of Manchester, 131 Princess Street, Manchester
[3] Inorganic Chemistry, Department of Chemistry and Pharmacy, University of Erlangen-Nuremberg, Egerlandstrasse 1, Erlangen
[4] Faculty of Chemistry, Jagiellonian University, Ingardena 3, Krakow
[5] Department of Applied Physics, School for Physical Sciences, Babasaheb Bhimrao Ambedkar University, Vidya Vihar, Rai Bareilly Road, Lucknow
基金
英国工程与自然科学研究理事会; 中国国家自然科学基金; 英国生物技术与生命科学研究理事会;
关键词
compound I; density functional calculations; enzyme catalysis; oxygen atom transfer; reaction mechanisms;
D O I
10.1002/chem.201501444
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Invited for the cover of this issue are the groups of SamP. deVisser at the University of Manchester and Weiping Liu from Zhejiang University and colleagues. The cover shows the competitive routes that can be taken to convert drug and other xenobiotic molecules in the body, and most importantly in the liver. Read the full text of the article at .10.1002/chem.201500329.
引用
收藏
页码:8973 / 8973
页数:1
相关论文
共 92 条
[1]   ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].
AHLRICHS, R ;
BAR, M ;
HASER, M ;
HORN, H ;
KOLMEL, C .
CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169
[2]   METABOLIC SWITCHING IN CYTOCHROME-P-450CAM - DEUTERIUM-ISOTOPE EFFECTS ON REGIOSPECIFICITY AND THE MONOOXYGENASE OXIDASE RATIO [J].
ATKINS, WM ;
SLIGAR, SG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (12) :3754-3760
[3]   Roles of the proximal heme thiolate ligand in cytochrome P450cam [J].
Auclair, K ;
Moënne-Loccoz, P ;
de Montellano, PRO .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (21) :4877-4885
[4]   Hybrid models for combined quantum mechanical and molecular mechanical approaches [J].
Bakowies, D ;
Thiel, W .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (25) :10580-10594
[5]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[6]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[7]   Structure and Biochemical Properties of the Alkene Producing Cytochrome P450 OleTJE (CYP152L1) from the Jeotgalicoccus sp 8456 Bacterium [J].
Belcher, James ;
McLean, Kirsty J. ;
Matthews, Sarah ;
Woodward, Laura S. ;
Fisher, Karl ;
Rigby, Stephen E. J. ;
Nelson, David R. ;
Potts, Donna ;
Baynham, Michael T. ;
Parker, David A. ;
Leys, David ;
Munro, Andrew W. .
JOURNAL OF BIOLOGICAL CHEMISTRY, 2014, 289 (10) :6535-6550
[8]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[9]   Dynamics of protein-bound water in the heme domain of P450BM3 studied by high-pressure spectroscopy: Comparison with P450cam and P450 2B4 [J].
Davydov, DR ;
Hoa, GHB ;
Peterson, JA .
BIOCHEMISTRY, 1999, 38 (02) :751-761
[10]  
de Montellano P.R. Ortiz., 2004, CYTOCHROME P450 STRU, V3rd