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Research Article

Qsar of P450 Oxidation: On the Value of Comparing kcat and Km with Kcat/Km

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Pages 513-526 | Published online: 22 Sep 2008

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Read on this site (4)

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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Hua Gao, Stefanus J Steyn, George Chang & Jing Lin. (2010) Assessment of in silico models for fraction of unbound drug in human liver microsomes. Expert Opinion on Drug Metabolism & Toxicology 6:5, pages 533-542.
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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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Articles from other publishers (18)

Mukesh C. Sharma. (2015) A Structure–Activity Relationship Study of Imidazole-5-Carboxylic Acid Derivatives as Angiotensin II Receptor Antagonists Combining 2D and 3D QSAR Methods. Interdisciplinary Sciences: Computational Life Sciences 8:1, pages 1-10.
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Mukesh C. Sharma. (2015) Discovery of Potent Antihypertensive Ligands Substituted Imidazolyl Biphenyl Sulfonylureas Analogs as Angiotensin II $$\hbox {AT}_{1}$$ AT 1 Receptor Antagonists by Molecular Modelling Studies. Interdisciplinary Sciences: Computational Life Sciences 7:3, pages 221-232.
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Amrita Dwivedi, A. K. Srivastava & Ajeet Singh. (2013) Molecular modeling of pyridine derivatives for COX-2 inhibitors: quantitative structure–activity relationship study. Medicinal Chemistry Research 23:4, pages 1865-1877.
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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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Zhihui Qin, Irida Kastrati, Rezene T. Ashgodom, Daniel D. Lantvit, Cassia R. Overk, Yongsoo Choi, Richard B. van Breemen, Judy L. Bolton & Gregory R. J. Thatcher. (2009) Structural Modulation of Oxidative Metabolism in Design of Improved Benzothiophene Selective Estrogen Receptor Modulators. Drug Metabolism and Disposition 37:1, pages 161-169.
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Hassan Pajouhesh & George R. Lenz. (2005) Medicinal chemical properties of successful central nervous system drugs. NeuroRX 2:4, pages 541-553.
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David F.V. Lewis, Miriam N. Jacobs & Maurice Dickins. (2004) Compound lipophilicity for substrate binding to human P450s in drug metabolism. Drug Discovery Today 9:12, pages 530-537.
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Martin Payne. 2004. Predicting Chemical Toxicity and Fate. Predicting Chemical Toxicity and Fate.
Corwin Hansch, Rajni Garg, Alka Kurup & Suresh Babu Mekapati. (2003) Allosteric interactions and QSAR: On the role of ligand hydrophobicity. Bioorganic & Medicinal Chemistry 11:9, pages 2075-2084.
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Rajni Garg, Alka Kurup, Suresh Babu Mekapati & Corwin Hansch. (2003) Cyclooxygenase (COX) Inhibitors:  A Comparative QSAR Study. Chemical Reviews 103:3, pages 703-732.
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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.
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D.F.V Lewis & M Dickins. (2002) Factors influencing rates and clearance in P450-mediated reactions: QSARs for substrates of the xenobiotic-metabolizing hepatic microsomal P450s. Toxicology 170:1-2, pages 45-53.
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Suresh Babu Mekapati & Corwin Hansch. (2001) Comparative QSAR studies on bibenzimidazoles and terbenzimidazoles inhibiting topoisomerase I. Bioorganic & Medicinal Chemistry 9:11, pages 2885-2893.
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Alka Kurup, Rajni Garg, D. J. Carini & Corwin Hansch. (2001) Comparative QSAR:  Angiotensin II Antagonists. Chemical Reviews 101:9, pages 2727-2750.
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David Lewis. 2001. Guide to Cytochromes P450. Guide to Cytochromes P450 164 210 .
Sean Ekins & Steven A Wrighton. (2001) Application of in silico approaches to predicting drug–drug interactions. Journal of Pharmacological and Toxicological Methods 45:1, pages 65-69.
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Sean Ekins, Chris L Waller, Peter W Swaan, Gabriele Cruciani, Steven A Wrighton & James H Wikel. (2000) Progress in predicting human ADME parameters in silico. Journal of Pharmacological and Toxicological Methods 44:1, pages 251-272.
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Corwin Hansch & Hua Gao. (1997) Comparative QSAR:  Radical Reactions of Benzene Derivatives in Chemistry and Biology. Chemical Reviews 97:8, pages 2995-3060.
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