Combining pharmacophore and protein modeling to predict CYP450 inhibitors and substrates.
Masimirembwa
Collen M
CM
AstraZeneca R&D Mäolndal, S-431 83 Mölndal, Sweden.
Ridderström
Marianne
M
Zamora
Ismael
I
Andersson
Tommy B
TB
D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D065607:Cytochrome P-450 Enzyme Inhibitors; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry* / Q000378:metabolism*; D004008:Diclofenac / Q000737:chemistry / Q000378:metabolism; D008024:Ligands; D008958:Models, Molecular; D005810:Multigene Family; D011485:Protein Binding; D017434:Protein Structure, Tertiary; D021281:Quantitative Structure-Activity Relationship; D011817:Rabbits; D015203:Reproducibility of Results
D000894:Anti-Inflammatory Agents, Non-Steroidal; D065607:Cytochrome P-450 Enzyme Inhibitors; D008024:Ligands; D004008:Diclofenac; D003577:Cytochrome P-450 Enzyme System