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Xenobiotica
the fate of foreign compounds in biological systems
Volume 39, 2009 - Issue 8: Commemorative Issue: Professor George Gordon Gibson
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Review Article

Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity

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Pages 625-635 | Accepted 28 Apr 2009, Published online: 10 Jun 2009

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Read on this site (4)

Klara Valko, James Butler & Peter Eddershaw. (2013) Predictive approaches to increase absorption of compounds during lead optimisation. Expert Opinion on Drug Discovery 8:10, pages 1225-1238.
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Dong Dong, Baojian Wu, Diana Chow & Ming Hu. (2012) Substrate selectivity of drug-metabolizing cytochrome P450s predicted from crystal structures and in silico modeling. Drug Metabolism Reviews 44:2, pages 192-208.
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David FV Lewis & Yuko Ito. (2010) Human CYPs involved in drug metabolism: structures, substrates and binding affinities. Expert Opinion on Drug Metabolism & Toxicology 6:6, pages 661-674.
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Articles from other publishers (19)

Hiroaki Edamatsu, Masataka Yagawa, Shinichi Ikushiro, Toshiyuki Sakaki, Yoshiaki Nakagawa, Hisashi Miyagawa & Miki Akamatsu. (2020) Identification and in silico prediction of metabolites of tebufenozide derivatives by major human cytochrome P450 isoforms. Bioorganic & Medicinal Chemistry 28:9, pages 115429.
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Qianqian Lu, Jinshuai Song, Peng Wu, Chunsen Li & Walter Thiel. (2019) Mechanistic Insights into the Directing Effect of Thr303 in Ethanol Oxidation by Cytochrome P450 2E1. ACS Catalysis 9:6, pages 4892-4901.
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Iryna Gerasymenko, Yuriy Sheludko, Sabine Fräbel, Agata Staniek & Heribert Warzecha. 2019. Metabolons and Supramolecular Enzyme Assemblies. Metabolons and Supramolecular Enzyme Assemblies 413 442 .
Yuriy V. Sheludko, Iryna M. Gerasymenko & Heribert Warzecha. (2018) Transient Expression of Human Cytochrome P450s 2D6 and 3A4 in Nicotiana benthamiana Provides a Possibility for Rapid Substrate Testing and Production of Novel Compounds . Biotechnology Journal 13:11, pages 1700696.
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Xiang Li, Youjun Xu, Luhua Lai & Jianfeng Pei. (2018) Prediction of Human Cytochrome P450 Inhibition Using a Multitask Deep Autoencoder Neural Network. Molecular Pharmaceutics 15:10, pages 4336-4345.
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P. McGonigle & M. Williams. 2017. Reference Module in Biomedical Sciences. Reference Module in Biomedical Sciences.
Hyun Kil Shin, Young-Mook Kang & Kyoung Tai No. 2017. Handbook of Computational Chemistry. Handbook of Computational Chemistry 2265 2301 .
Li Di & Edward H. Kerns. 2016. Drug-Like Properties. Drug-Like Properties 161 194 .
Sun Hongmao. 2016. A Practical Guide to Rational Drug Design. A Practical Guide to Rational Drug Design 225 268 .
Hyun Kil Shin, Young-Mook Kang & Kyoung Tai No. 2016. Handbook of Computational Chemistry. Handbook of Computational Chemistry 1 37 .
Niina Tani, Risto O. Juvonen, Hannu Raunio, Muluneh Fashe, Jukka Leppänen, Bin Zhao, Rachel F. Tyndale & Minna Rahnasto-Rilla. (2014) Rational design of novel CYP2A6 inhibitors. Bioorganic & Medicinal Chemistry 22:23, pages 6655-6664.
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Andrew G. Leach & Nathan J. Kidley. 2014. Drug Metabolism Prediction. Drug Metabolism Prediction 103 132 .
Renata A. Kwiecień, Jean-Yves Le Questel, Jacques Lebreton, Marcel Delaforge, François André, Emilie Pihan, Anaïs Roussel, Anaïs Fournial, Piotr Paneth & Richard J. Robins. (2012) Cytochrome P450-Catalyzed Degradation of Nicotine: Fundamental Parameters Determining Hydroxylation by Cytochrome P450 2A6 at the 5′-Carbon or the N -Methyl Carbon . The Journal of Physical Chemistry B 116:27, pages 7827-7840.
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Jonas Boström, Anders Hogner, Antonio Llinàs, Eric Wellner & Alleyn T. Plowright. (2012) Oxadiazoles in Medicinal Chemistry. Journal of Medicinal Chemistry 55:5, pages 1817-1830.
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Thomas Peyret & Kannan Krishnan. (2012) Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans. Journal of Toxicology 2012, pages 1-22.
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Hongmao Sun, Henrike Veith, Menghang Xia, Christopher P. Austin & Ruili Huang. (2011) Predictive Models for Cytochrome P450 Isozymes Based on Quantitative High Throughput Screening Data. Journal of Chemical Information and Modeling 51:10, pages 2474-2481.
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Martin E. Dowty, Dean M. Messing, Yurong Lai & Leonid (Leo) Kirkovsky. 2011. ADMET for Medicinal Chemists. ADMET for Medicinal Chemists 145 200 .
Thomas C. PochapskySophia KazanisMarina Dang. (2010) Conformational Plasticity and Structure/Function Relationships in Cytochromes P450. Antioxidants & Redox Signaling 13:8, pages 1273-1296.
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Sean C Gay, Arthur G Roberts & James R Halpert. (2010) Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by x-ray crystallography and NMR. Future Medicinal Chemistry 2:9, pages 1451-1468.
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