Predictions of drug metabolism pathways through CYP 3A4 enzyme by analysing drug-target interactions network graph

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dc.authorid0000-0001-6657-9738
dc.contributor.authorAlbrijawi, M. Taleb
dc.contributor.authorIbrahim, Amrou Haj
dc.contributor.authorAlhajj, Reda
dc.date.accessioned2022-02-28T10:59:23Z
dc.date.available2022-02-28T10:59:23Z
dc.date.issued2021
dc.departmentİstanbul Medipol Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Bilgisayar Mühendisliği Bölümü
dc.description.abstractThe available data of drugs and their targets has increased widely in recent years. Far from the traditional way of studying the drug-target interactions, we propose a network-based computational method to identify new targets for known drugs. In this study, the Stanford Biomedical Network Dataset Collection (BIOSNAP Datasets) is used. A network graph is constructed and analyzed to study the relationship between the drugs and their targets. Different centrality and similarity measures analyses are applied and predict new potential metabolism pathways for five drugs, namely (Wortmannin, Voacamine, Vancomycin, Dactinomycin and Arundic acid) through Cytochrome P450 3A4 enzyme in the liver. The application of network theory to the analysis of this dataset reveals a new significant approach. Finally the molecular docking is performed to confirm the results. Also, the importance of the presented method in drug discovery is highlighted/pointed out.
dc.description.sponsorshipACM Special Interest Group on Knowledge Discovery in Data (SIGKDD) ; Elsevier ; IEEE Computer Society ; IEEE TCDE ; Springeren_US
dc.identifier.citationAlbrijawi, M. T., Ibrahim, A. H. ve Alhajj, R. (2021). Predictions of drug metabolism pathways through CYP 3A4 enzyme by analysing drug-target interactions network graph. 13th IEEE/ACM International Conference on Advances in Social Networks Analysis and Mining, ASONAM içinde (495-501. ss.). Virtual, Online, 8 November 2021. https://doi.org/10.1145/3487351.3490959
dc.identifier.doi10.1145/3487351.3490959
dc.identifier.endpage501
dc.identifier.isbn9781450391283
dc.identifier.scopus2-s2.0-85124392148
dc.identifier.scopusqualityN/A
dc.identifier.startpage495
dc.identifier.urihttps://doi.org/10.1145/3487351.3490959
dc.identifier.urihttps://hdl.handle.net/20.500.12511/9024
dc.indekslendigikaynakScopus
dc.institutionauthorAlbrijawi, M. Taleb
dc.institutionauthorIbrahim, Amrou Haj
dc.institutionauthorAlhajj, Reda
dc.language.isoen
dc.publisherAssociation for Computing Machinery, Inc.
dc.relation.ispartof13th IEEE/ACM International Conference on Advances in Social Networks Analysis and Mining, ASONAMen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectCYP 3A4 Enzyme
dc.subjectNetwork Graph
dc.subjectDrug Metabolism
dc.titlePredictions of drug metabolism pathways through CYP 3A4 enzyme by analysing drug-target interactions network graph
dc.typeConference Object

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