MicrobeRX: a tool for enzymatic-reaction-based metabolite prediction in the gut microbiome.

ABSTRACT:

Background

The gut microbiome functions as a metabolic organ, producing numerous enzymes that influence host health; however, their substrates and metabolites remain largely unknown.

Results

We present MicrobeRX, an enzyme-based metabolite prediction tool that employs 5487 human reactions and 4030 unique microbial reactions from 6286 genome-scale models, as well as 3650 drug metabolic reactions from the DrugBank database (v.5.1.12). MicrobeRX includes additional analysis modules for metabolite visualization and enzymatic and taxonomic analyses. When we applied MicrobeRX to 1083 orally administered drugs that have been approved in at least one jurisdiction at some point in time (DrugBank), it predicted metabolites with physicochemical properties and structures similar to meta

SUBMITTER: Ruiz-Moreno AJ 

PROVIDER: S-EPMC11921629 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature