Literature DB >> 15828810

Cytochrome p450 in silico: an integrative modeling approach.

Chris de Graaf1, Nico P E Vermeulen, K Anton Feenstra.   

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Year:  2005        PMID： 15828810     DOI： 10.1021/jm040180d

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  31 in total

1.  Exploration of the binding of curcumin analogues to human P450 2C9 based on docking and molecular dynamics simulation.

Authors:  Rongwei Shi; Yin Wang; Xiaolei Zhu; Xiaohua Lu
Journal:  J Mol Model       Date:  2011-11-12       Impact factor: 1.810

2.  Predicting drug metabolism by CYP1A1, CYP1A2, and CYP1B1: insights from MetaSite, molecular docking and quantum chemical calculations.

Authors:  Preeti Pragyan; Siddharth S Kesharwani; Prajwal P Nandekar; Vijay Rathod; Abhay T Sangamwar
Journal:  Mol Divers       Date:  2014-07-16       Impact factor: 2.943

3.  Parameter discovery in stochastic biological models using simulated annealing and statistical model checking.

Authors:  Faraz Hussain; Sumit K Jha; Susmit Jha; Christopher J Langmead
Journal:  Int J Bioinform Res Appl       Date:  2014

4.  Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism.

Authors:  Rayomand J Unwalla; Jason B Cross; Sumeet Salaniwal; Adam D Shilling; Louis Leung; John Kao; Christine Humblet
Journal:  J Comput Aided Mol Des       Date:  2010-04-02       Impact factor: 3.686

5.  Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures.

Authors:  Matthew L Danielson; Prashant V Desai; Michael A Mohutsky; Steven A Wrighton; Markus A Lill
Journal:  Eur J Med Chem       Date:  2011-06-23       Impact factor: 6.514

6.  Phylogenetic and functional analysis of the vertebrate cytochrome p450 2 family.

Authors:  Nina Kirischian; Andrew G McArthur; Caroline Jesuthasan; Birgit Krattenmacher; Joanna Y Wilson
Journal:  J Mol Evol       Date:  2010-11-30       Impact factor: 2.395

7.  Binding of 7-methoxy-4-(aminomethyl)-coumarin to wild-type and W128F mutant cytochrome P450 2D6 studied by time-resolved fluorescence spectroscopy.

Authors:  Aike Stortelder; Peter H J Keizers; Chris Oostenbrink; Chris De Graaf; Petra De Kruijf; Nico P E Vermeulen; Cees Gooijer; Jan N M Commandeur; Gert Van der Zwan
Journal:  Biochem J       Date:  2006-02-01       Impact factor: 3.857

8.  'Novel alkyl side chain sulfone 1alpha,25-dihydroxyvitamin D3 analogs: a comparison of in vitro antiproliferative activities and in vivo calcemic activities'.

Authors:  Aimee R Usera; Patrick Dolan; Thomas W Kensler; Gary H Posner
Journal:  Bioorg Med Chem       Date:  2009-06-21       Impact factor: 3.641

Review 9.  Medicinal chemical properties of successful central nervous system drugs.

Authors:  Hassan Pajouhesh; George R Lenz
Journal:  NeuroRx       Date:  2005-10

10.  Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries.

Authors:  Henrike Veith; Noel Southall; Ruili Huang; Tim James; Darren Fayne; Natalia Artemenko; Min Shen; James Inglese; Christopher P Austin; David G Lloyd; Douglas S Auld
Journal:  Nat Biotechnol       Date:  2009-10-25       Impact factor: 54.908
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