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Research Article

Quantitative Structure-Activity Relationships of Cytochrome P-450

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Pages 1-48 | Published online: 22 Sep 2008

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David S. Wishart. (2005) Bioinformatics in Drug Development and Assessment. Drug Metabolism Reviews 37:2, pages 279-310.
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Corwin Hansch, Suresh Babu Mekapati, Alka Kurup & Rajeshwar Prasad Verma. (2004) QSAR of Cytochrome P450. Drug Metabolism Reviews 36:1, pages 105-156.
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James B. Knaak, Curt C. Dary, Fred Power, Carol B. Thompson & Jerry N. Blancato. (2004) Physicochemical and Biological Data for the Development of Predictive Organophosphorus Pesticide QSARs and PBPK/PD Models for Human Risk Assessment. Critical Reviews in Toxicology 34:2, pages 143-207.
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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.
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Hua Gao & Corwin Hansch. (1996) Qsar of P450 Oxidation: On the Value of Comparing kcat and Km with Kcat/Km. Drug Metabolism Reviews 28:4, pages 513-526.
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C. Hansch & L. Zhang. (1995) Comparative QSAR: Radical Toxicity and Scavenging. Two Different Sides of the Same Coin. SAR and QSAR in Environmental Research 4:2-3, pages 73-82.
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Corwin Hansen, Bruce R. Telzer & Litai Zhang. (1995) Comparative QSAR in Toxicology: Examples from Teratology and Cancer Chemotherapy of Aniline Mustards. Critical Reviews in Toxicology 25:1, pages 67-89.
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Stefanus J. Steyn & Manthena V. S. Varma. (2020) Cytochrome-P450-Mediated Drug – Drug Interactions of Substrate Drugs: Assessing Clinical Risk Based on Molecular Properties and an Extended Clearance Classification System . Molecular Pharmaceutics 17:8, pages 3024-3032.
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Christopher T. Szlenk, Jeevan B. GC & Senthil Natesan. (2019) Does the Lipid Bilayer Orchestrate Access and Binding of Ligands to Transmembrane Orthosteric/Allosteric Sites of G Protein-Coupled Receptors?. Molecular Pharmacology 96:5, pages 527-541.
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Serena Nembri, Francesca Grisoni, Viviana Consonni & Roberto Todeschini. (2016) In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9. International Journal of Molecular Sciences 17:6, pages 914.
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Alexander L. Perryman, Thomas P. Stratton, Sean Ekins & Joel S. Freundlich. (2015) Predicting Mouse Liver Microsomal Stability with “Pruned” Machine Learning Models and Public Data. Pharmaceutical Research 33:2, pages 433-449.
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Alessandra Pirovano, Stefan Brandmaier, Mark A.J. Huijbregts, Ad M.J. Ragas, Karin Veltman & A. Jan Hendriks. (2015) The utilisation of structural descriptors to predict metabolic constants of xenobiotics in mammals. Environmental Toxicology and Pharmacology 39:1, pages 247-258.
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Alessandra Pirovano, Mark A.J. Huijbregts, Ad M.J. Ragas, Karin Veltman & A. Jan Hendriks. (2014) Mechanistically-based QSARs to Describe Metabolic Constants in Mammals. Alternatives to Laboratory Animals 42:1, pages 59-69.
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Takashi Niwa & Masahisa Nakada. (2012) A Non-Heme Iron(III) Complex with Porphyrin-like Properties That Catalyzes Asymmetric Epoxidation. Journal of the American Chemical Society 134:33, pages 13538-13541.
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Alessandra PirovanoMark A. J. HuijbregtsAd M. J. RagasA. Jan Hendriks. (2012) Compound Lipophilicity as a Descriptor to Predict Binding Affinity (1/ K m ) in Mammals . Environmental Science & Technology 46:9, pages 5168-5174.
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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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Julianna Oláh, Adrian J. Mulholland & Jeremy N. Harvey. (2011) Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450. Proceedings of the National Academy of Sciences 108:15, pages 6050-6055.
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Eleni Pontiki & Dimitra Hadjipavlou‐Litina. (2006) Lipoxygenase inhibitors: A comparative QSAR study review and evaluation of new QSARs. Medicinal Research Reviews 28:1, pages 39-117.
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David R. Jones, Sean Ekins, Lang Li & Stephen D. Hall. (2007) Computational Approaches That Predict Metabolic Intermediate Complex Formation with CYP3A4 (+ b 5 ) . Drug Metabolism and Disposition 35:9, pages 1466-1475.
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Daisuke Itokawa, Tomoki Nishioka, Junji Fukushima, Tomoyo Yasuda, Aiko Yamauchi & Hiroshi Chuman. (2007) Quantitative Structure–Activity Relationship Study of Binding Affinity of Azole Compounds with CYP2B and CYP3A. QSAR & Combinatorial Science 26:7, pages 828-836.
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