This repository attempts to look at cytochrome P450 (CYP) enzymes and their corresponding inhibitors currently with hopefully a bit more cheminformatics focus on these approved drugs. The CYP inhibitors will be based on The Flockhart Cytochrome P450 Drug-Drug Interaction Table, which is a frequently-visited information source by health professionals globally when dealing with real-life clinical uses of approved drugs at the bedsides. There may be possibilities in the future to also look at CYP substrates and inducers to get more ideas about the molecular features in these types of compounds.

A quick background on why I've started looking at this theme - CYP enzymes do play an important role in drug metabolism and toxicology if we're thinking about drug pharmacokinetics, i.e. absorption, distribution, metabolism, excretion and toxicology (or more commonly known as ADMET), which will ultimately influence the wellbeings of people requiring these drugs for therapeutic purposes. Potentially, any insights gained from this may also assist the drug discovery and designing process in different drug discovery projects.

The first post will look at the two most common and largest groups of inhibitors of CYP3A4 and 2D6 with an ETA currently set for August (aiming for third quarter of the year).