The cytochrome P450s (CYPs) are a superfamily of heme-containing mixed function oxygenases that catalyse the regio- and stereo-selective oxidation of a wide variety of xenobiotics including drugs. While in vitro high throughput screenings using hepatocytes and microsomes are routinely conducted in drug discovery settings, summarized information on drug metabolisms can also be obtained from public literatures. The present study was initiated to develop a natural language processing system specializing in extracting information on CYP-drug interactions. This system utilizes an open-source language processing system GATE, implementing the rules that identify chemical names and extract CYP-drug interaction information in a context-based manner, together with a chemical name dictionary (>100,000 compounds registered). Information extraction was performed by the following steps: identification of chemical and CYP names in the text, transformation of sentences into multiple simple clauses implying each single event, and pattern matching of keyword sequences within the clauses, where the compounds were categorized in substrates, inhibitors, and inducers. Using PubMed database, approximately 2000 compounds names were obtained by the present system. When 100 PubMed abstracts regarding CYP3A4 were randomly selected to examine feasibility of the system, it was found that the present text mining system gave a high performance on extraction of chemical names (0.871 recall, 0.941 precision) and CYP-chemical interactions (0.852 recall, 0.920 precision). For about 1000 compounds that are registered in PubChem, structure-activity relationship analysis was conducted by an extended recursive partitioning method. The analysis revealed 1) CYP2C9 and CYP2C19 are similar in substrate specificity, 2) substrates and inhibitors for CYP2E1 are smaller in molecular size, 3) substrates for CYP2D6 and CYP3A4 are relatively larger, 4) many of CYP2D6 substrates are cationic, and 5) compounds that are not cationized at neutral do not tend to inhibit CYP2D6 activity. These trends can be intuitively understood by a large-scale data visualization technique HeiankyoView, which can represent hierarchically structured data with rectangular icons and borders.
I have an issue with one of these cyps...
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
CYP2D6 gene
and think some drugs I have taken have hurt me.