## Abstract An overview of the COMPACT method for evaluating potential toxicity mediated by cytochrome P450 enzymes is presented. Particular aspects of P450s are described, together with details of QSARs and homology modelling of mammalian P450s associated with foreign compound metabolism. © 2001
Automated multiple analysis of protein structures: Application to homology modeling of cytochromes P450
✍ Scribed by Pascale Jean; Joël Pothier; Patrick M. Dansette; Daniel Mansuy; Alain Viari
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 846 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0887-3585
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✦ Synopsis
A computational strategy for homology modeling, using several protein structures comparison, is described. This strategy implies a formalized definition of structural blocks common to several protein structures, a new program to compare these structures simultaneously, and the use of consensus matrices to improve sequence alignment between the structurally known and target proteins.Applying this method to cytochromes P450 led to the definition of 15 substructures common to P450 cam , P450 BM3 , and P450 terp , and to proposing a 3D model of P450 eryF . Proteins 28:388-404, 1997 r 1997 Wiley-Liss, Inc.
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