Membrane proteins are involved in numerous vital biological processes, including transport,
signal transduction and the enzymes in a variety of metabolic pathways. Integral membrane …

We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …

Cytochrome P450 enzymes (P450s, CYPs) catalyze the oxidative transformation of a wide
range of organic substrates. Their functions are crucial to xenobiotic metabolism and steroid …

We developed an efficient and sensitive probe for drug–drug interactions mediated by
human CYP3A4 by using midazolam (MDZ) as a probe substrate. Using global analysis of …

Human cytochrome P450 3A4 (CYP3A4) is responsible for the metabolism of∼ 50%
clinically used drugs. Midazolam (MDZ) is a commonly used sedative drug and serves as a …

Human cytochrome P450 CYP3A4 is involved in the processing of more than 35% of current
pharmaceuticals and therefore is responsible for multiple drug-drug interactions (DDI). In …

Cytochromes P450 (CYPs) are heme-containing enzymes that are present in all kingdoms of
life and share a structurally homologous, globular protein fold. CYPs utilize structures distal …

Despite being one of the most well-studied aspects of cytochrome P450 chemistry, important
questions remain regarding the nature and ubiquity of allosteric regulation of catalysis. The …

Cytochrome P450 3A4 (CYP3A4) is the main P450 enzyme for drug metabolism and drug–
drug interactions (DDIs), as it is involved in the metabolic process of approximately 50% of …

Human cytochrome P450 3A4 (CYP3A4) is a major drug-metabolizing enzyme that shows
extreme substrate promiscuity. Moreover, its large and malleable active site can …