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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

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Quantitative structure--activity relationship analysis and molecular dynamics simulation to functionally validate

Aki Sakurai1, Yuko Onishi, Hiroyuki Hirano

  • 1Department of Biomolecular Engineering, Graduate School of Bioscience and Biotechnology, Tokyo Institute of Technology, Yokohama, Japan.

Biochemistry
|June 15, 2007
PubMed
Summary

Genetic variations in the ABCB1 transporter, particularly at amino acid position 893, significantly alter drug response by changing transporter activity and substrate specificity. These findings highlight the clinical importance of specific ABCB1 polymorphisms.

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