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HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods

Recent data indicate that up-to 30–40% of cancers can be prevented by dietary and lifestyle measures alone. Herein, we introduce a unique network-based machine learning platform to identify putative food-based cancer-beating molecules. These have been identified through their molecular biological ne...

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Autores principales: Veselkov, Kirill, Gonzalez, Guadalupe, Aljifri, Shahad, Galea, Dieter, Mirnezami, Reza, Youssef, Jozef, Bronstein, Michael, Laponogov, Ivan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6610092/
https://www.ncbi.nlm.nih.gov/pubmed/31270435
http://dx.doi.org/10.1038/s41598-019-45349-y
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author Veselkov, Kirill
Gonzalez, Guadalupe
Aljifri, Shahad
Galea, Dieter
Mirnezami, Reza
Youssef, Jozef
Bronstein, Michael
Laponogov, Ivan
author_facet Veselkov, Kirill
Gonzalez, Guadalupe
Aljifri, Shahad
Galea, Dieter
Mirnezami, Reza
Youssef, Jozef
Bronstein, Michael
Laponogov, Ivan
author_sort Veselkov, Kirill
collection PubMed
description Recent data indicate that up-to 30–40% of cancers can be prevented by dietary and lifestyle measures alone. Herein, we introduce a unique network-based machine learning platform to identify putative food-based cancer-beating molecules. These have been identified through their molecular biological network commonality with clinically approved anti-cancer therapies. A machine-learning algorithm of random walks on graphs (operating within the supercomputing DreamLab platform) was used to simulate drug actions on human interactome networks to obtain genome-wide activity profiles of 1962 approved drugs (199 of which were classified as “anti-cancer” with their primary indications). A supervised approach was employed to predict cancer-beating molecules using these ‘learned’ interactome activity profiles. The validated model performance predicted anti-cancer therapeutics with classification accuracy of 84–90%. A comprehensive database of 7962 bioactive molecules within foods was fed into the model, which predicted 110 cancer-beating molecules (defined by anti-cancer drug likeness threshold of >70%) with expected capacity comparable to clinically approved anti-cancer drugs from a variety of chemical classes including flavonoids, terpenoids, and polyphenols. This in turn was used to construct a ‘food map’ with anti-cancer potential of each ingredient defined by the number of cancer-beating molecules found therein. Our analysis underpins the design of next-generation cancer preventative and therapeutic nutrition strategies.
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spelling pubmed-66100922019-07-14 HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods Veselkov, Kirill Gonzalez, Guadalupe Aljifri, Shahad Galea, Dieter Mirnezami, Reza Youssef, Jozef Bronstein, Michael Laponogov, Ivan Sci Rep Article Recent data indicate that up-to 30–40% of cancers can be prevented by dietary and lifestyle measures alone. Herein, we introduce a unique network-based machine learning platform to identify putative food-based cancer-beating molecules. These have been identified through their molecular biological network commonality with clinically approved anti-cancer therapies. A machine-learning algorithm of random walks on graphs (operating within the supercomputing DreamLab platform) was used to simulate drug actions on human interactome networks to obtain genome-wide activity profiles of 1962 approved drugs (199 of which were classified as “anti-cancer” with their primary indications). A supervised approach was employed to predict cancer-beating molecules using these ‘learned’ interactome activity profiles. The validated model performance predicted anti-cancer therapeutics with classification accuracy of 84–90%. A comprehensive database of 7962 bioactive molecules within foods was fed into the model, which predicted 110 cancer-beating molecules (defined by anti-cancer drug likeness threshold of >70%) with expected capacity comparable to clinically approved anti-cancer drugs from a variety of chemical classes including flavonoids, terpenoids, and polyphenols. This in turn was used to construct a ‘food map’ with anti-cancer potential of each ingredient defined by the number of cancer-beating molecules found therein. Our analysis underpins the design of next-generation cancer preventative and therapeutic nutrition strategies. Nature Publishing Group UK 2019-07-03 /pmc/articles/PMC6610092/ /pubmed/31270435 http://dx.doi.org/10.1038/s41598-019-45349-y Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Veselkov, Kirill
Gonzalez, Guadalupe
Aljifri, Shahad
Galea, Dieter
Mirnezami, Reza
Youssef, Jozef
Bronstein, Michael
Laponogov, Ivan
HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
title HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
title_full HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
title_fullStr HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
title_full_unstemmed HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
title_short HyperFoods: Machine intelligent mapping of cancer-beating molecules in foods
title_sort hyperfoods: machine intelligent mapping of cancer-beating molecules in foods
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6610092/
https://www.ncbi.nlm.nih.gov/pubmed/31270435
http://dx.doi.org/10.1038/s41598-019-45349-y
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