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Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques
Polypharmacologic human-targeted antimicrobials (polyHAM) are potentially useful in the treatment of complex human diseases where the microbiome is important (e.g., diabetes, hypertension). We previously reported a machine-learning approach to identify polyHAM from FDA-approved human targeted drugs...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7559829/ https://www.ncbi.nlm.nih.gov/pubmed/32825532 http://dx.doi.org/10.3390/ph13090204 |
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author | Nava Lara, Rodrigo A. Beltrán, Jesús A. Brizuela, Carlos A. Del Rio, Gabriel |
author_facet | Nava Lara, Rodrigo A. Beltrán, Jesús A. Brizuela, Carlos A. Del Rio, Gabriel |
author_sort | Nava Lara, Rodrigo A. |
collection | PubMed |
description | Polypharmacologic human-targeted antimicrobials (polyHAM) are potentially useful in the treatment of complex human diseases where the microbiome is important (e.g., diabetes, hypertension). We previously reported a machine-learning approach to identify polyHAM from FDA-approved human targeted drugs using a heterologous approach (training with peptides and non-peptide compounds). Here we discover that polyHAM are more likely to be found among antimicrobials displaying a broad-spectrum antibiotic activity and that topological, but not chemical features, are most informative to classify this activity. A heterologous machine-learning approach was trained with broad-spectrum antimicrobials and tested with human metabolites; these metabolites were labeled as antimicrobials or non-antimicrobials based on a naïve text-mining approach. Human metabolites are not commonly recognized as antimicrobials yet circulate in the human body where microbes are found and our heterologous model was able to classify those with antimicrobial activity. These results provide the basis to develop applications aimed to design human diets that purposely alter metabolic compounds proportions as a way to control human microbiome. |
format | Online Article Text |
id | pubmed-7559829 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-75598292020-10-29 Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques Nava Lara, Rodrigo A. Beltrán, Jesús A. Brizuela, Carlos A. Del Rio, Gabriel Pharmaceuticals (Basel) Article Polypharmacologic human-targeted antimicrobials (polyHAM) are potentially useful in the treatment of complex human diseases where the microbiome is important (e.g., diabetes, hypertension). We previously reported a machine-learning approach to identify polyHAM from FDA-approved human targeted drugs using a heterologous approach (training with peptides and non-peptide compounds). Here we discover that polyHAM are more likely to be found among antimicrobials displaying a broad-spectrum antibiotic activity and that topological, but not chemical features, are most informative to classify this activity. A heterologous machine-learning approach was trained with broad-spectrum antimicrobials and tested with human metabolites; these metabolites were labeled as antimicrobials or non-antimicrobials based on a naïve text-mining approach. Human metabolites are not commonly recognized as antimicrobials yet circulate in the human body where microbes are found and our heterologous model was able to classify those with antimicrobial activity. These results provide the basis to develop applications aimed to design human diets that purposely alter metabolic compounds proportions as a way to control human microbiome. MDPI 2020-08-21 /pmc/articles/PMC7559829/ /pubmed/32825532 http://dx.doi.org/10.3390/ph13090204 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Nava Lara, Rodrigo A. Beltrán, Jesús A. Brizuela, Carlos A. Del Rio, Gabriel Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques |
title | Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques |
title_full | Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques |
title_fullStr | Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques |
title_full_unstemmed | Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques |
title_short | Relevant Features of Polypharmacologic Human-Target Antimicrobials Discovered by Machine-Learning Techniques |
title_sort | relevant features of polypharmacologic human-target antimicrobials discovered by machine-learning techniques |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7559829/ https://www.ncbi.nlm.nih.gov/pubmed/32825532 http://dx.doi.org/10.3390/ph13090204 |
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