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Drug-target identification in COVID-19 disease mechanisms using computational systems biology approaches

  • Anna Niarakis*
  • , Marek Ostaszewski
  • , Alexander Mazein
  • , Inna Kuperstein
  • , Martina Kutmon
  • , Marc E. Gillespie
  • , Akira Funahashi
  • , Marcio Luis Acencio
  • , Ahmed Hemedan
  • , Michael Aichem
  • , Karsten Klein
  • , Tobias Czauderna
  • , Felicia Burtscher
  • , Takahiro G. Yamada
  • , Yusuke Hiki
  • , Noriko F. Hiroi
  • , Finterly Hu
  • , Nhung Pham
  • , Friederike Ehrhart
  • , Egon L. Willighagen
  • Alberto Valdeolivas, Aurelien Dugourd, Francesco Messina, Marina Esteban-Medina, Maria Peña-Chilet, Kinza Rian, Sylvain Soliman, Sara Sadat Aghamiri, Bhanwar Lal Puniya, Aurélien Naldi, Tomáš Helikar, Vidisha Singh, Marco Fariñas Fernández, Viviam Bermudez, Eirini Tsirvouli, Arnau Montagud, Vincent Noël, Miguel Ponce-de-Leon, Dieter Maier, Angela Bauch, Benjamin M. Gyori, John A. Bachman, Augustin Luna, Janet Piñero, Laura I. Furlong, Irina Balaur, Adrien Rougny, Yohan Jarosz, Rupert W. Overall, Robert Phair, Livia Perfetto, Lisa Matthews, Devasahayam Arokia Balaya Rex, Marija Orlic-Milacic, Luis Cristobal Monraz Gomez, Bertrand De Meulder, Jean Marie Ravel, Bijay Jassal, Venkata Satagopam, Guanming Wu, Martin Golebiewski, Piotr Gawron, Laurence Calzone, Jacques S. Beckmann, Chris T. Evelo, Peter D’Eustachio, Falk Schreiber, Julio Saez-Rodriguez, Joaquin Dopazo, Martin Kuiper, Alfonso Valencia, Olaf Wolkenhauer, Hiroaki Kitano, Emmanuel Barillot, Charles Auffray, Rudi Balling, Reinhard Schneider
*Korrespondierende/r Autor/-in für diese Arbeit
    • Universität Paris-Saclay
    • Nationales Forschungsinstitut für Informatik und Automatisierung
    • Universität Paul Sabatier
    • Universität Luxemburg
    • Institut Curie
    • National Institute of Health and Medical Research
    • Paris Sciences et Lettres University
    • Universität Maastricht
    • Ontario Institute for Cancer Research
    • St. John's University
    • Keio University
    • Universität Konstanz
    • Hochschule Mittweida
    • Kanagawa Institute of Technology
    • Keio University School of Medicine
    • Ruprecht-Karls-Universität Heidelberg
    • National Institute for Infectious Diseases 'Lazzaro Spallanzani'
    • Andalusian Public Foundation Progress and Health
    • Hospital Universitario Virgen del Rocío
    • University of Nebraska-Lincoln
    • Technisch-Naturwissenschaftliche Universität Norwegens
    • Barcelona Supercomputing Center
    • Labvantage-Biomax GmbH
    • Harvard Medical School
    • United States National Library of Medicine
    • MedBioinformatics Solutions SL
    • Universität Pompeu Fabra
    • National Institute of Advanced Industrial Science and Technology
    • Humboldt-Universität zu Berlin
    • Vizient Inc.
    • Universität La Sapienza
    • NYU Langone Health
    • Yenepoya University
    • European Institute for Systems Biology and Medicine
    • Frankfurt Institute for Advanced Studies
    • Oregon Health & Sciences University
    • Heidelberger Institut für Theoretische Studien
    • Universität Lausanne
    • Monash University
    • Catalan Institution for Research and Advanced Studies
    • Universität Rostock
    • The Systems Biology Institute
    • Rheinische Friedrich-Wilhelms-Universität Bonn

    Publikation: Beitrag in FachzeitschriftArtikelBegutachtung

    16 Zitate (Scopus)

    Abstract

    Introduction: The COVID-19 Disease Map project is a large-scale community effort uniting 277 scientists from 130 Institutions around the globe. We use high-quality, mechanistic content describing SARS-CoV-2-host interactions and develop interoperable bioinformatic pipelines for novel target identification and drug repurposing. Methods: Extensive community work allowed an impressive step forward in building interfaces between Systems Biology tools and platforms. Our framework can link biomolecules from omics data analysis and computational modelling to dysregulated pathways in a cell-, tissue- or patient-specific manner. Drug repurposing using text mining and AI-assisted analysis identified potential drugs, chemicals and microRNAs that could target the identified key factors. Results: Results revealed drugs already tested for anti-COVID-19 efficacy, providing a mechanistic context for their mode of action, and drugs already in clinical trials for treating other diseases, never tested against COVID-19. Discussion: The key advance is that the proposed framework is versatile and expandable, offering a significant upgrade in the arsenal for virus-host interactions and other complex pathologies.

    OriginalspracheEnglisch
    Aufsatznummer1282859
    FachzeitschriftFrontiers in Immunology
    Jahrgang14
    DOIs
    PublikationsstatusVeröffentlicht - 2023

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