Literature DB >> 34272694

Numerical Methods for Modeling Enzyme Kinetics.

Jaydeep Yadav1, Ken Korzekwa2, Swati Nagar2.   

Abstract

Differential equations are used to describe time-dependent changes in enzyme kinetics and pharmacokinetics. Analytical and numerical methods can be used to solve differential equations. This chapter describes the use of numerical methods in solving differential equations and its applications in characterizing the complexities observed in enzyme kinetics. A discussion is included on the use of numerical methods to overcome limitations of explicit equations in the analysis of metabolism kinetics, reversible inhibition kinetics, and inactivation kinetics. The chapter describes the advantages of using numerical methods when Michaelis-Menten assumptions do not hold.
© 2021. Springer Science+Business Media, LLC, part of Springer Nature.

Keywords:  Atypical kinetics; CYP inactivation; Michaelis–Menten; Multiple binding kinetics; Numerical methods

Year:  2021        PMID: 34272694     DOI: 10.1007/978-1-0716-1554-6_6

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  54 in total

1.  Impact of nonspecific binding to microsomes and phospholipid on the inhibition of cytochrome P4502D6: implications for relating in vitro inhibition data to in vivo drug interactions.

Authors:  Jeannine M Margolis; R Scott Obach
Journal:  Drug Metab Dispos       Date:  2003-05       Impact factor: 3.922

2.  Commentary: nonspecific protein binding versus membrane partitioning: it is not just semantics.

Authors:  Swati Nagar; Ken Korzekwa
Journal:  Drug Metab Dispos       Date:  2012-06-18       Impact factor: 3.922

3.  Sigmoidal kinetic model for two co-operative substrate-binding sites in a cytochrome P450 3A4 active site: an example of the metabolism of diazepam and its derivatives.

Authors:  M Shou; Q Mei; M W Ettore; R Dai; T A Baillie; T H Rushmore
Journal:  Biochem J       Date:  1999-06-15       Impact factor: 3.857

4.  Human cytochrome P450 enzymes bind drugs and other substrates mainly through conformational-selection modes.

Authors:  F Peter Guengerich; Clayton J Wilkey; Thanh T N Phan
Journal:  J Biol Chem       Date:  2019-05-30       Impact factor: 5.157

5.  Impact of Lipid Partitioning on the Design, Analysis, and Interpretation of Microsomal Time-Dependent Inactivation.

Authors:  Jaydeep Yadav; Ken Korzekwa; Swati Nagar
Journal:  Drug Metab Dispos       Date:  2019-05-01       Impact factor: 3.922

6.  Kinetic mechanism of time-dependent inhibition of CYP2D6 by 3,4-methylenedioxymethamphetamine (MDMA): Functional heterogeneity of the enzyme and the reversibility of its inactivation.

Authors:  John T Rodgers; Nadezhda Y Davydova; Erickson M Paragas; Jeffrey P Jones; Dmitri R Davydov
Journal:  Biochem Pharmacol       Date:  2018-08-13       Impact factor: 5.858

7.  Evaluation of atypical cytochrome P450 kinetics with two-substrate models: evidence that multiple substrates can simultaneously bind to cytochrome P450 active sites.

Authors:  K R Korzekwa; N Krishnamachary; M Shou; A Ogai; R A Parise; A E Rettie; F J Gonzalez; T S Tracy
Journal:  Biochemistry       Date:  1998-03-24       Impact factor: 3.162

8.  Multisite kinetic analysis of interactions between prototypical CYP3A4 subgroup substrates: midazolam, testosterone, and nifedipine.

Authors:  Aleksandra Galetin; Stephen E Clarke; J Brian Houston
Journal:  Drug Metab Dispos       Date:  2003-09       Impact factor: 3.922

Review 9.  Role of protein-protein interactions in cytochrome P450-mediated drug metabolism and toxicity.

Authors:  Sylvie E Kandel; Jed N Lampe
Journal:  Chem Res Toxicol       Date:  2014-08-29       Impact factor: 3.739

10.  The Kinetics of Enzyme Mixtures.

Authors:  Simon Brown; Noorzaid Muhamad; Kevin C Pedley; David C Simcock
Journal:  Mol Biol Res Commun       Date:  2014-03
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