Publication Cover
Xenobiotica
the fate of foreign compounds in biological systems
Volume 32, 2002 - Issue 4
95
Views
62
CrossRef citations to date
0
Altmetric
Research Article

Homology modelling of human CYP2 family enzymes based on the CYP2C5 crystal structure

Pages 305-323 | Published online: 22 Sep 2008

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (10)

Huijuan Wang, Raymond A. Kim, Dongxu Sun, Yiwen Gao, Hao Wang, Juanli Zhu & Chao Chen. (2011) Evaluation of the effects of 18 non-synonymous single-nucleotide polymorphisms of CYP450 2C19 on in vitro drug inhibition potential by a fluorescence-based high-throughput assay. Xenobiotica 41:9, pages 826-835.
Read now
David FV Lewis & Yuko Ito. (2008) Human cytochromes P450 in the metabolism of drugs: new molecular models of enzyme–substrate interactions. Expert Opinion on Drug Metabolism & Toxicology 4:9, pages 1181-1186.
Read now
Grover P Miller. (2008) Advances in the interpretation and prediction of CYP2E1 metabolism from a biochemical perspective. Expert Opinion on Drug Metabolism & Toxicology 4:8, pages 1053-1064.
Read now
N. Hanioka, N. Hanioka, Y. Tsuneto, Y. Saito, T. Sumada, K. Maekawa, K. Saito, J. Sawada & S. Narimatsu. (2007) Functional characterization of two novel CYP2C19 variants ( and ) found in a Japanese population. Xenobiotica 37:4, pages 342-355.
Read now
D. F. V. Lewis, B. G. Lake, M. Dickins & P. S. Goldfarb. (2004) Homology modelling of CYP3A4 from the CYP2C5 crystallographic template: analysis of typical CYP3A4 substrate interactions. Xenobiotica 34:6, pages 549-569.
Read now
David F. V. Lewis & Maruice Dickins. (2003) Baseline Lipophilicity Relationships in Human Cytochromes P450 Associated with Drug Metabolism. Drug Metabolism Reviews 35:1, pages 1-18.
Read now
D. F. V. Lewis, B. G. Lake, M. Dickins, Y.-F. Ueng & P. S. Goldfarb. (2003) Homology modelling of human CYP1A2 based on the CYP2C5 crystallographic template structure. Xenobiotica 33:3, pages 239-254.
Read now

Articles from other publishers (52)

Nadja Kampschulte, Ayah Alasmer, Michael T. Empl, Michael Krohn, Pablo Steinberg & Nils Helge Schebb. (2020) Dietary Polyphenols Inhibit the Cytochrome P450 Monooxygenase Branch of the Arachidonic Acid Cascade with Remarkable Structure-Dependent Selectivity and Potency. Journal of Agricultural and Food Chemistry 68:34, pages 9235-9244.
Crossref
Amelia Nathania Dong, Nafees Ahemad, Yan Pan, Uma Devi Palanisamy, Beow Chin Yiap & Chin Eng Ong. (2020) The Molecular and Enzyme Kinetic Basis for Altered Activity of Three Cytochrome P450 2C19 Variants Found in the Chinese Population. Current Molecular Pharmacology 13:3, pages 233-244.
Crossref
Kaori Matsumoto, Tetsuya Hasegawa, Kosuke Ohara, Chihiro Takei & Masayuki Akimoto. (2019) Roles of CYP2C9 and its variants (CYP2C9*2 and CYP2C9*3) in the metabolism of 6-methoxy-2-napthylacetic acid, an active metabolite of the prodrug nabumetone. Journal of Pharmaceutical Investigation 50:1, pages 71-79.
Crossref
Dongfang Ma, Xuan-Yu Meng, David R. Bell, Shengtang Liu & Ruhong Zhou. (2018) Inhibition of CYP2C8 by metallofullerenol Gd@C82(OH)22 through blocking substrate channels and substrate recognition sites. Carbon 127, pages 667-675.
Crossref
Chiharu Tsukada, Takahiro Saito, Masamitsu Maekawa, Nariyasu Mano, Akifumi Oda, Noriyasu Hirasawa & Masahiro Hiratsuka. (2015) Functional characterization of 12 allelic variants of CYP2C8 by assessment of paclitaxel 6α-hydroxylation and amodiaquine N-deethylation. Drug Metabolism and Pharmacokinetics 30:5, pages 366-373.
Crossref
Nina L. Kirischian & Joanna Y. Wilson. (2012) Phylogenetic and functional analyses of the cytochrome P450 family 4. Molecular Phylogenetics and Evolution 62:1, pages 458-471.
Crossref
Huijuan Wang, Nianzhen An, Hao Wang, Yiwen Gao, Duan Liu, Ting Bian, Juanli Zhu & Chao Chen. (2011) Evaluation of the Effects of 20 Nonsynonymous Single Nucleotide Polymorphisms of CYP2C19 on S -Mephenytoin 4′-Hydroxylation and Omeprazole 5′-Hydroxylation . Drug Metabolism and Disposition 39:5, pages 830-837.
Crossref
Nina Kirischian, Andrew G. McArthur, Caroline Jesuthasan, Birgit Krattenmacher & Joanna Y. Wilson. (2010) Phylogenetic and Functional Analysis of the Vertebrate Cytochrome P450 2 Family. Journal of Molecular Evolution 72:1, pages 56-71.
Crossref
Marcel J de Groot. (2010) Understanding ion channels using computational approaches. Future Medicinal Chemistry 2:5, pages 697-701.
Crossref
Nobumitsu Hanioka, Maki Yamamoto, Toshiko Tanaka-Kagawa, Hideto Jinno & Shizuo Narimatsu. (2009) Functional characterization of human cytochrome P450 2E1 allelic variants: in vitro metabolism of benzene and toluene by recombinant enzymes expressed in yeast cells. Archives of Toxicology 84:5, pages 363-371.
Crossref
Yoshie Hirano & Takaharu Mizutani. (2003) Study of inhibition of CYP2A6 by some drugs derived from quinoline. Journal of Pharmacy and Pharmacology 55:12, pages 1667-1672.
Crossref
Max K. Leong, Yen-Ming Chen, Hong-Bin Chen & Po-Hong Chen. (2008) Development of a New Predictive Model for Interactions with Human Cytochrome P450 2A6 Using Pharmacophore Ensemble/Support Vector Machine (PhE/SVM) Approach. Pharmaceutical Research 26:4, pages 987-1000.
Crossref
Vandana Hirani, Anton Yarovoy, Anita Kozeska, Ronald P. Magnusson & Jerome M. Lasker. (2008) Expression of CYP4F2 in human liver and kidney: Assessment using targeted peptide antibodies. Archives of Biochemistry and Biophysics 478:1, pages 59-68.
Crossref
Filip Fratev & Emilio Benfenati. (2008) A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals. Journal of Molecular Graphics and Modelling 27:2, pages 147-160.
Crossref
Samuel L. Collom, Ryan M. Laddusaw, Amber M. Burch, Petr Kuzmic, Martin D. PerryJr.Jr. & Grover P. Miller. (2008) CYP2E1 Substrate Inhibition. Journal of Biological Chemistry 283:6, pages 3487-3496.
Crossref
Yuko Ito, Hiroki Kondo, Peter S. Goldfarb & David F.V. Lewis. (2008) Analysis of CYP2D6 substrate interactions by computational methods. Journal of Molecular Graphics and Modelling 26:6, pages 947-956.
Crossref
Rajinder Singh, Jonathan G. Ting, Yan Pan, Lay Kek Teh, Rusli Ismail & Chin Eng Ong. (2008) Functional Role of Ile264 in CYP2C8: Mutations Affect Haem Incorporation and Catalytic Activity. Drug Metabolism and Pharmacokinetics 23:3, pages 165-174.
Crossref
Nobumitsu Hanioka, Maki Yamamoto, Hiroyuki Iwabu, Hideto Jinno, Toshiko Tanaka-Kagawa, Shinsaku Naito, Takefumi Shimizu, Kazufumi Masuda, Takashi Katsu & Shizuo Narimatsu. (2007) Functional characterization of human and cynomolgus monkey cytochrome P450 2E1 enzymes. Life Sciences 81:19-20, pages 1436-1445.
Crossref
I. M. Danko & N. A. Chaschin. (2007) Structure-functional characterization of cytochrome P4502E1 (CYP2E1). Biopolymers and Cell 23:2, pages 67-85.
Crossref
Samuel L. Collom, Arvind P. Jamakhandi, Alan J. Tackett, Anna Radominska-Pandya & Grover P. Miller. (2007) CYP2E1 active site residues in substrate recognition sequence 5 identified by photoaffinity labeling and homology modeling. Archives of Biochemistry and Biophysics 459:1, pages 59-69.
Crossref
Giulia Caron, Giuseppe Ermondi & Bernard Testa. (2007) Predicting the Oxidative Metabolism of Statins: An Application of the MetaSite® Algorithm. Pharmaceutical Research 24:3, pages 480-501.
Crossref
Yoshiyuki Hanzawa, Takamitsu Sasaki, Masahiro Hiratsuka, Masaaki Ishikawa & Michinao Mizugaki. (2007) Three Novel Single Nucleotide Polymorphisme (SNPs) of CYP2S1 Gene in Japanese Individuals. Drug Metabolism and Pharmacokinetics 22:2, pages 136-140.
Crossref
Bernard Testa & Stefanie D. Krämer. (2006) The Biochemistry of Drug Metabolism – An Introduction. Chemistry & Biodiversity 3:10, pages 1053-1101.
Crossref
Nobumitsu Hanioka, Yoshihito Okumura, Yoshiro Saito, Hiroyuki Hichiya, Akiko Soyama, Keita Saito, Kazuyuki Ueno, Jun-ichi Sawada & Shizuo Narimatsu. (2006) Catalytic roles of CYP2D6.10 and CYP2D6.36 enzymes in mexiletine metabolism: In vitro functional analysis of recombinant proteins expressed in Saccharomyces cerevisiae. Biochemical Pharmacology 71:9, pages 1386-1395.
Crossref
Paul Rowland, Frank E. Blaney, Martin G. Smyth, Jo J. Jones, Vaughan R. Leydon, Amanda K. Oxbrow, Ceri J. Lewis, Mike G. Tennant, Sandeep Modi, Drake S. Eggleston, Richard J. Chenery & Angela M. Bridges. (2006) Crystal Structure of Human Cytochrome P450 2D6. Journal of Biological Chemistry 281:11, pages 7614-7622.
Crossref
David F.V. Lewis, Yuko Ito & Brian G. Lake. (2006) Metabolism of coumarin by human P450s: A molecular modelling study. Toxicology in Vitro 20:2, pages 256-264.
Crossref
Marie Stiborová, Bruno Sopko, Petr Hodek, Eva Frei, Heinz H. Schmeiser & Jiří Hudeček. (2005) The binding of aristolochic acid I to the active site of human cytochromes P450 1A1 and 1A2 explains their potential to reductively activate this human carcinogen. Cancer Letters 229:2, pages 193-204.
Crossref
Gabriel Marceau, Pascal Lapierre, Kathie Béland, Hugo Soudeyns & Fernando Alvarez. (2005) LKM1 autoantibodies in chronic hepatitis C infection: A case of molecular mimicry?. Hepatology 42:3, pages 675-682.
Crossref
James W Paxton, Philip Kestell, Daniel Chiang, Shufeng Zhou & David FV Lewis. (2005) INHIBITION OF HUMAN CYP1A2 OXIDATION OF 5,6-DIMETHYL-XANTHENONE-4-ACETIC ACID BY ACRIDINES: A MOLECULAR MODELLING STUDY. Clinical and Experimental Pharmacology and Physiology 32:8, pages 633-639.
Crossref
Bernard Testa, Anne-Loyse Balmat, Anthony Long & Philip Judson. (2005) Predicting Drug Metabolism - An Evaluation of the Expert SystemMETEOR. Chemistry & Biodiversity 2:7, pages 872-885.
Crossref
F. Peter Guengerich. 2005. Cytochrome P450. Cytochrome P450 377 530 .
Lovisa Afzelius, Florian Raubacher, Anders Karlén, Flemming Steen Jørgensen, Tommy B. Andersson, Collen M. Masimirembwa & Ismael Zamora. (2004) STRUCTURAL ANALYSIS OF CYP2C9 AND CYP2C5 AND AN EVALUATION OF COMMONLY USED MOLECULAR MODELING TECHNIQUES. Drug Metabolism and Disposition 32:11, pages 1218-1229.
Crossref
Xiao-Yang He, Jian Shen, Wen-Yu Hu, Xinxin Ding, Anthony Y.H Lu & Jun-Yan Hong. (2004) Identification of Val117 and Arg372 as critical amino acid residues for the activity difference between human CYP2A6 and CYP2A13 in coumarin 7-hydroxylation. Archives of Biochemistry and Biophysics 427:2, pages 143-153.
Crossref
David FV Lewis. (2004) 57 varieties: the human cytochromes P450. Pharmacogenomics 5:3, pages 305-318.
Crossref
Christelle Cauffiez, Jean-Marc Lo-Guidice, Sylvie Quaranta, Delphine Allorge, Dany Chevalier, Sylvie Cenée, Rima Hamdan, Michel Lhermitte, Jean-Jacques Lafitte, Christian Libersa, Jean-Frédéric Colombel, Isabelle Stücker & Franck Broly. (2004) Genetic polymorphism of the human cytochrome CYP2A13 in a French population: implication in lung cancer susceptibility. Biochemical and Biophysical Research Communications 317:2, pages 662-669.
Crossref
David F.V. Lewis. (2004) Quantitative structure–activity relationships (QSARs) for substrates of human cytochromes P450 CYP2 family enzymes. Toxicology in Vitro 18:1, pages 89-97.
Crossref
Masahiko Iwasaki, Yoshinobu Yoshimura, Satoru Asahi, Kimitoshi Saito, Shuichi Sakai, Shigemichi Morita, Osamu Takenaka, Toshio Inoda, Eiji Kashiyama, Akinori Aoyama, Takeshi Nakabayashi, Satoshi Omori, Takashi Kuwabara, Takashi Izumi, Kouichi Nakamura, Kaoru Takanaka, Yukiharu Nakayama, Mitsuaki Takeuchi, Hideki Nakamura, Shunichi Kametani, Yoshiaki Terauchi, Takanori Hashizume, Sekio Nagayama, Toshiyuki Kume, Meguru Achira, Hiroyuki Kawai, Takashi Kawashiro, Akio Nakamura, Yasuhiro Nakai, Akira Kagayama, Toshifumi Shiraga, Takuro Niwa, Takuya Yoshimura, Jun Morita, Fukuichi Ohsaw, Masato Tani, Nobuo Osawa, Keiichi Ida & Kiyoshi Noguchi. (2004) Functional Characterization of Single Nucleotide Polymorphisms with Amino Acid Substitution in CYP1A2, CYP2A6, and CYP2B6 Found in the Japanese Population. Drug Metabolism and Pharmacokinetics 19:6, pages 444-452.
Crossref
D.F V. Lewis, B.G. Lake & M. Dickins. (2004) Substrates of Human Cytochromes P4S0 from Families CYP1 and CYP2: Analysis of Enzyme Selectivity and Metabolism. Drug Metabolism and Drug Interactions 20:3.
Crossref
Izumi Iida, Atsunori Miyata, Masayuki Arai, Mitsuyo Hirota, Masayuki Akimoto, Shohei Higuchi, Kaoru Kobayashi & Kan Chiba. (2004) CATALYTIC ROLES OF CYP2C9 AND ITS VARIANTS (CYP2C9*2 AND CYP2C9*3) IN LORNOXICAM 5′-HYDROXYLATION. Drug Metabolism and Disposition 32:1, pages 7-9.
Crossref
Vlada B Urlacher & Rolf D Schmid. 2004. Protein Engineering. Protein Engineering 208 224 .
P. Hlavica, J. Schulze & D.F.V. Lewis. (2003) Functional interaction of cytochrome P450 with its redox partners: a critical assessment and update of the topology of predicted contact regions. Journal of Inorganic Biochemistry 96:2-3, pages 279-297.
Crossref
David FV Lewis. (2003) P450 structures and oxidative metabolismof xenobiotics. Pharmacogenomics 4:4, pages 387-395.
Crossref
David F.V. Lewis, Elizabeth M.J. Gillam, Steven A. Everett & Tsutomu Shimada. (2003) Molecular modelling of human CYP1B1 substrate interactions and investigation of allelic variant effects on metabolism. Chemico-Biological Interactions 145:3, pages 281-295.
Crossref
D.F.V. Lewis, B.G. Lake, M. Dickins & P.S. Goldfarb. (2003) Homology modelling of CYP2A6 based on the CYP2C5 crystallographic template: enzyme–substrate interactions and QSARs for binding affinity and inhibition. Toxicology in Vitro 17:2, pages 179-190.
Crossref
David F. V. Lewis. (2003) Quantitative structure–activity relationships (QSARs) within the cytochrome P450 system: QSARs describing substrate binding, inhibition and induction of P450s. InflammoPharmacology 11:1, pages 43-73.
Crossref
D.F.V Lewis, B.G Lake, M.G Bird, G.D Loizou, M Dickins & P.S Goldfarb. (2003) Homology modelling of human CYP2E1 based on the CYP2C5 crystal structure: investigation of enzyme–substrate and enzyme–inhibitor interactions. Toxicology in Vitro 17:1, pages 93-105.
Crossref
D.F.V. Lewis, M. Dickins, B.G. Lake & P.S. Goldfarb. (2003) Investigation of Enzyme Selectivity in the Human CYP2C Subfamily: Homology Modelling of CYP2C8, CYP2C9 and CYP2C19 from the CYP2C5 Crystallographic Template. Drug Metabolism and Drug Interactions 19:4.
Crossref
David F.V. Lewis, Maurice Dickins, Brian G. Lake & Peter S. Goldfarb. (2003) A MOLECULAR MODEL OF CYP2D6 CONSTRUCTED BY HOMOLOGY WITH THE CYP2C5 CRYSTALLOGRAPHIC TEMPLATE: INVESTIGATION OF ENZYME-SUBSTRATE INTERACTIONS. Drug Metabolism and Drug Interactions 19:3.
Crossref
David F.V Lewis. (2003) Essential requirements for substrate binding affinity and selectivity toward human CYP2 family enzymes. Archives of Biochemistry and Biophysics 409:1, pages 32-44.
Crossref
David F. V. Lewis, Craig Sams & George D. Loizou. (2003) A quantitative structure–activity relationship analysis on a series of alkyl benzenes metabolized by human cytochrome P450 2E1. Journal of Biochemical and Molecular Toxicology 17:1, pages 47-52.
Crossref
D.F.V. Lewis, P.T. Bailey & L.K. Low. (2002) Molecular Modelling of the Mouse Cytochrome P450 CYP2F2 Based on the CYP102 Crystal Structure Template and Selective CYP2F2 Substrate Interactions. Drug Metabolism and Drug Interactions 19:2.
Crossref
D.F.V. Lewis, B.G. Lake, M. Dickins & P.S. Goldfarb. (2002) Molecular Modelling of CYP2B6 Based on Homology with the CYP2C5 Crystal Structure: Analysis of Enzyme-Substrate Interactions. Drug Metabolism and Drug Interactions 19:2.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.