ArticleScientific reports2017
A novel approach for the prediction of species-specific biotransformation of xenobiotic/drug molecules by the human gut microbiota.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.
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Who cites it
37 citing papers in PubMed, 70 citations in OpenAlex.
- Article
- BiotaPredictor: A machine learning framework for predicting drug depletion by the human gut microbiota.Gut microbes · 2026Article
- The gut microbiome and drug-resistant epilepsy: Microbiome-antiseizure medication interactions and implications for pharmacoresistance.Epilepsia open · 2026Review
- Artificial intelligence and computational methods in human metabolism research: A comprehensive survey.Journal of pharmaceutical analysis · 2025Review
- XenoBug: machine learning-based tool to predict pollutant-degrading enzymes from environmental metagenomes.NAR genomics and bioinformatics · 2025Article
- Gut-on-a-chip platforms: Bridging in vitro and in vivo models for advanced gastrointestinal research.Physiological reports · 2025Review
- Deciphering the universal role of gut microbiota in pollutant transformation.The ISME journal · 2025Review
- Computational analysis of the gut microbiota-mediated drug metabolism.Computational and structural biotechnology journal · 2025Article
- GutBugDB: a web resource to predict the human gut microbiome-mediated biotransformation of biotic and xenobiotic molecules.Gut microbiome (Cambridge, England) · 2025Article
- Gut Microbiota Disruption in Hematologic Cancer Therapy: Molecular Insights and Implications for Treatment Efficacy.International journal of molecular sciences · 2024Review
- Mining the Metabolic Capacity of Clostridium sporogenes Aided by Machine Learning.Angewandte Chemie (International ed. in English) · 2024Article
- Orally Administered Drugs and Their Complicated Relationship with Our Gastrointestinal Tract.Microorganisms · 2024Review
- Bioinformatics Approaches in the Development of Antifungal Therapeutics and Vaccines.Current genomics · 2024Review
- Gut microbiome-derived hydrolases-an underrated target of natural product metabolism.Frontiers in cellular and infection microbiology · 2024Review
- Dissecting the human gut microbiome to better decipher drug liability: A once-forgotten organ takes center stage.Journal of advanced research · 2023Review
- Human Gut Microbiota and Drug Metabolism.Microbial ecology · 2023Review
- Article
- The Interplay between Gut Microbiota and Oral Medications and Its Impact on Advancing Precision Medicine.Metabolites · 2023Review
- The implication of Mycobacterium tuberculosis-mediated metabolism of targeted xenobiotics.Nature reviews. Chemistry · 2023Review
- Application of artificial intelligence approaches to predict the metabolism of xenobiotic molecules by human gut microbiome.Frontiers in microbiology · 2023Review
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The human gut microbiota is constituted of a diverse group of microbial species harbouring an enormous metabolic potential, which can alter the metabolism of orally administered drugs leading to individual/population-specific differences in drug responses. Considering the large heterogeneous pool of human gut bacteria and their metabolic enzymes, investigation of species-specific contribution to xenobiotic/drug metabolism by experimental studies is a challenging task. Therefore, we have developed a novel computational approach to predict the metabolic enzymes and gut bacterial species, which can potentially carry out the biotransformation of a xenobiotic/drug molecule. A substrate database was constructed for metabolic enzymes from 491 available human gut bacteria. The structural properties (fingerprints) from these substrates were extracted and used for the development of random forest models, which displayed average accuracies of up to 98.61% and 93.25% on cross-validation and blind set, respectively. After the prediction of EC subclass, the specific metabolic enzyme (EC) is identified using a molecular similarity search. The performance was further evaluated on an independent set of FDA-approved drugs and other clinically important molecules. To our knowledge, this is the only available approach implemented as 'DrugBug' tool for the prediction of xenobiotic/drug metabolism by metabolic enzymes of human gut microbiota.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.