Abstract Cytochrome P450 (CYP) family 1, 2, and 3 enzymes play an essential role in the
metabolic clearance and detoxification of a myriad of structurally and chemically diverse …

Quantitative structure-activity relationships may bring invaluable information on structural
elements of both enzymes and substrates that, together, govern substrate specificity. Buried …

Halogen bond has attracted a great deal of attention in the past years for hit-to-lead-to-
candidate optimization aiming at improving drug-target binding affinity. In general, heavy …

Abstract The cytochrome P450 (P450) enzymes first attracted interest because of their
relevance to the metabolism of drugs, steroids, and carcinogens. Collectively, the 57 human …

Cytochrome P450 (CYP) 1A1 is an extrahepatic monooxygenase involved in the metabolism
of endogenous substrates and drugs, as well as the activation of certain toxins and …

Amphiphile selection is a critical step for structural studies of membrane proteins (MPs). We
have developed a family of steroid-based facial amphiphiles (FAs) that are structurally …

The protein database has> 450 entries with P450 in the title and of these there are
approximately 54 unique structures. Although this sample of unique structures is small …

P450 2D6 contributes significantly to the metabolism of> 15% of the 200 most marketed
drugs. Open and closed crystal structures of P450 2D6 thioridazine complexes were …

Cytochrome P450 (CYP) epoxygenases are a special subset of heme-containing CYP
enzymes capable of performing the epoxidation of polyunsaturated fatty acids (PUFA) and …

X-ray crystal structures are available for 29 eukaryotic microsomal, chloroplast, or
mitochondrial cytochrome P450s, including two non-monooxygenase P450s. These …