Combining pharmacophore and protein modeling to predict CYP450 inhibitors and substrates

Methods Enzymol. 2002:357:133-44. doi: 10.1016/s0076-6879(02)57673-4.

Authors

Collen M Masimirembwa¹, Marianne Ridderström, Ismael Zamora, Tommy B Andersson

Affiliation

¹ AstraZeneca R&D Mäolndal, S-431 83 Mölndal, Sweden.

PMID: 12424905
DOI: 10.1016/s0076-6879(02)57673-4

No abstract available

MeSH terms

Animals
Anti-Inflammatory Agents, Non-Steroidal / chemistry
Anti-Inflammatory Agents, Non-Steroidal / metabolism
Binding Sites
Cytochrome P-450 Enzyme Inhibitors
Cytochrome P-450 Enzyme System / chemistry*
Cytochrome P-450 Enzyme System / metabolism*
Diclofenac / chemistry
Diclofenac / metabolism
Ligands
Models, Molecular*
Multigene Family
Protein Binding
Protein Structure, Tertiary*
Quantitative Structure-Activity Relationship
Rabbits
Reproducibility of Results

Substances

Anti-Inflammatory Agents, Non-Steroidal
Cytochrome P-450 Enzyme Inhibitors
Ligands
Diclofenac
Cytochrome P-450 Enzyme System