Modeling Chemical Interaction Profiles: I. Spectral Data-Activity Relationship and Structure-Activity Relationship Models for Inhibitors and Non-inhibitors of Cytochrome P450 CYP3A4 and CYP2D6 Isozymes

Modeling Chemical Interaction Profiles: I. Spectral Data-Activity Relationship and Structure-Activity Relationship Models for Inhibitors and Non-inhibitors of Cytochrome P450 CYP3A4 and CYP2D6 Isozymes

An interagency collaboration was established to model chemical interactions that may cause adverse health effects when an exposure to a mixture of chemicals occurs. Many of these chemicals—drugs, pesticides, and environmental pollutants—interact at the level of metabolic biotransformations mediated...

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Bibliographic Details
Main Authors: Richard D. Beger, Eugene Demchuk, Bruce A. Fowler, Dan A. Buzatu, Jon G. Wilkes, Weida Tong, James C. Fuscoe, Luis G. Valerio, Huixiao Hong, Weigong Ge, Laura K. Schnackenberg, Bruce A. Pearce, Yunfeng Tie, Brooks McPhail
Format: Article
Language:English
Published: MDPI AG 2012-03-01
Series:Molecules
Subjects:
structure-activity relationship
SAR
SDAR
classifier
cytochrome P450
inhibitor
CYP3A4
CYP2D6
Online Access:http://www.mdpi.com/1420-3049/17/3/3383/

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http://www.mdpi.com/1420-3049/17/3/3383/

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