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Drug metabolism and bioactivation tools

Cytochrome P450 (CYPs) are the major enzymes involved in drug metabolism and bioactivation.

Source text:
(Shao et al., 2015) CypRules: a rule-based P450 inhibition prediction server. Bioinformatics.

XenoSite-Region
Desktop
Web

XenoSite-Region

A method for training site-of-metabolism models with region-resolution data.…

A method for training site-of-metabolism models with region-resolution data. This approach uses the Expectation Maximization algorithm to train a site-of-metabolism model. It opens up a way to extend…

ADME SARfari
Web

ADME SARfari

A freely available web resource that enables comparative analyses of…

A freely available web resource that enables comparative analyses of drug-disposition genes. ADME SARfari does so by integrating a number of publicly available data sources, which have subsequently…

CypRules
Web

CypRules

Predicts the metabolizing Cytochromes P450 (CYPs) inhibition, including CYP1A2,…

Predicts the metabolizing Cytochromes P450 (CYPs) inhibition, including CYP1A2, CYP2C19, CYP2C9, CYP2D6 and CYP3A4. CypRules predicts its results based on C5.0 algorithm. The rules are calculated…

SuperCYP
Dataset

SuperCYP

A comprehensive resource focused on CYPs and drug metabolism. SuperCYP aims at…

A comprehensive resource focused on CYPs and drug metabolism. SuperCYP aims at providing a user-friendly platform enabling health professionals to optimize drug cocktails regarding the degree of CYP…

FragmentStore
Dataset

FragmentStore

A resource for the comparison of fragments found in metabolites, drugs or toxic…

A resource for the comparison of fragments found in metabolites, drugs or toxic compounds. Starting from 13,000 metabolites, 16,000 drugs and 2200 toxic compounds we generated 35,000 different…

PROXIMAL
Desktop

PROXIMAL Prediction of Xenobiotic Metabolism

A prediction tool for identifying possible transformation products of…

A prediction tool for identifying possible transformation products of xenobiotic chemicals in the liver. PROXIMAL builds look-up tables that catalog the sites and types of structural modifications…

CYP450model
Desktop

CYP450model

Predicts the ability of drug-like chemicals to inhibit five major drug…

Predicts the ability of drug-like chemicals to inhibit five major drug metabolizing cytochrome P450 enzyme isoforms (CYPs) (i.e. CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4). CYP450model is a unified…

SwissADME
Web

SwissADME

Allows users to compute physicochemical descriptors as well as predict…

Allows users to compute physicochemical descriptors as well as predict pharmacokinetics properties and druglike nature of one or multiple small molecules. SwissADME was made for application in drug…

WhichCyp
Desktop
Web

WhichCyp

A tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19,…

A tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19, 2D6 and 3A4) a given molecule is likely to inhibit. The models are built from experimental high-throughput data using…

The Human…
Dataset

The Human Cytochrome P450 (CYP) Allele Nomenclature Database

Offers a rapid publication of new CYP alleles describing their major…

Offers a rapid publication of new CYP alleles describing their major properties. The Human Cytochrome P450 (CYP) Allele Nomenclature website is the management of an official and unified allele…

SCYPPred
Web

SCYPPred

A web-server developed for predicting human cytochrome P450 SNPs (Single…

A web-server developed for predicting human cytochrome P450 SNPs (Single Nucleotide Polymorphisms) based on the SVM flanking sequence method. SCYPPred can yield the desired results by using the amino…

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