A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.

Prediction of drug action in human cells is a major challenge in biomedical research. Additionally, there is strong interest in finding new applications for approved drugs and identifying potential side effects. We present a computational strategy to predict mechanisms, risks and potential new domai...

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Autores principales:	Thomas R Burkard, Uwe Rix, Florian P Breitwieser, Giulio Superti-Furga, Jacques Colinge
Formato:	article
Lenguaje:	EN
Publicado:	Public Library of Science (PLoS) 2010
Materias:	Biology (General) QH301-705.5
Acceso en línea:	https://doaj.org/article/046b9efec40442d3a2bc8198814632cf
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spelling	oai:doaj.org-article:046b9efec40442d3a2bc8198814632cf2021-11-18T05:51:54ZA computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.1553-734X1553-735810.1371/journal.pcbi.1001001https://doaj.org/article/046b9efec40442d3a2bc8198814632cf2010-11-01T00:00:00Zhttps://www.ncbi.nlm.nih.gov/pmc/articles/pmid/21124949/pdf/?tool=EBIhttps://doaj.org/toc/1553-734Xhttps://doaj.org/toc/1553-7358Prediction of drug action in human cells is a major challenge in biomedical research. Additionally, there is strong interest in finding new applications for approved drugs and identifying potential side effects. We present a computational strategy to predict mechanisms, risks and potential new domains of drug treatment on the basis of target profiles acquired through chemical proteomics. Functional protein-protein interaction networks that share one biological function are constructed and their crosstalk with the drug is scored regarding function disruption. We apply this procedure to the target profile of the second-generation BCR-ABL inhibitor bafetinib which is in development for the treatment of imatinib-resistant chronic myeloid leukemia. Beside the well known effect on apoptosis, we propose potential treatment of lung cancer and IGF1R expressing blast crisis.Thomas R BurkardUwe RixFlorian P BreitwieserGiulio Superti-FurgaJacques ColingePublic Library of Science (PLoS)articleBiology (General)QH301-705.5ENPLoS Computational Biology, Vol 6, Iss 11, p e1001001 (2010)
institution	DOAJ
collection	DOAJ
language	EN
topic	Biology (General) QH301-705.5
spellingShingle	Biology (General) QH301-705.5 Thomas R Burkard Uwe Rix Florian P Breitwieser Giulio Superti-Furga Jacques Colinge A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
description	Prediction of drug action in human cells is a major challenge in biomedical research. Additionally, there is strong interest in finding new applications for approved drugs and identifying potential side effects. We present a computational strategy to predict mechanisms, risks and potential new domains of drug treatment on the basis of target profiles acquired through chemical proteomics. Functional protein-protein interaction networks that share one biological function are constructed and their crosstalk with the drug is scored regarding function disruption. We apply this procedure to the target profile of the second-generation BCR-ABL inhibitor bafetinib which is in development for the treatment of imatinib-resistant chronic myeloid leukemia. Beside the well known effect on apoptosis, we propose potential treatment of lung cancer and IGF1R expressing blast crisis.
format	article
author	Thomas R Burkard Uwe Rix Florian P Breitwieser Giulio Superti-Furga Jacques Colinge
author_facet	Thomas R Burkard Uwe Rix Florian P Breitwieser Giulio Superti-Furga Jacques Colinge
author_sort	Thomas R Burkard
title	A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
title_short	A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
title_full	A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
title_fullStr	A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
title_full_unstemmed	A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
title_sort	computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.
publisher	Public Library of Science (PLoS)
publishDate	2010
url	https://doaj.org/article/046b9efec40442d3a2bc8198814632cf
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A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.

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