AI-guided pipeline for protein-protein interaction drug discovery identifies a SARS-CoV-2 inhibitor

Autor: Trepte, Philipp, Secker, Christopher, Kostova, Simona, Maseko, Sibusiso B., Choi, Soon Gang, Blavier, Jeremy, Minia, Igor, Ramos, Eduardo Silva, Cassonnet, Patricia, Golusik, Sabrina, Zenkner, Martina, Beetz, Stephanie, Liebich, Mara J., Scharek, Nadine, Schütz, Anja, Sperling, Marcel, Lisurek, Michael, Wang, Yang, Spirohn, Kerstin, Hao, Tong, Calderwood, Michael A., Hill, David E., Landthaler, Markus, Olivet, Julien, Twizere, Jean-Claude, Vidal, Marc, Wanker, Erich E.

Publikováno v: bioRxiv

Protein-protein interactions (PPIs) offer great opportunities to expand the druggable proteome and therapeutically tackle various diseases, but remain challenging targets for drug discovery. Here, we provide a comprehensive pipeline that combines exp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::abb9646c9c7b2dbccf51c9e47869c4f0
https://europepmc.org/articles/PMC10312674/

AI-guided pipeline for protein-protein interaction drug discovery identifies a SARS-CoV-2 inhibitor.

Autor: Trepte P; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany.; Brain Development and Disease, Institute of Molecular Biotechnology of the Austrian Academy of Sciences, 1030, Vienna, Austria., Secker C; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany.; Zuse Institute Berlin, Berlin, Germany., Kostova S; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Maseko SB; Laboratory of Viral Interactomes, Interdisciplinary Cluster for Applied Genoproteomics (GIGA)-Molecular Biology of Diseases, University of Liège, 4000, Liège, Belgium., Choi SG; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA., Blavier J; Laboratory of Viral Interactomes, Interdisciplinary Cluster for Applied Genoproteomics (GIGA)-Molecular Biology of Diseases, University of Liège, 4000, Liège, Belgium., Minia I; RNA Biology and Posttranscriptional Regulation, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, Berlin Institute for Medical Systems Biology, 13125, Berlin, Germany., Ramos ES; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Cassonnet P; Département de Virologie, Unité de Génétique Moléculaire des Virus à ARN (GMVR), Institut Pasteur, Centre National de la Recherche Scientifique (CNRS), Université de Paris, Paris, France., Golusik S; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Zenkner M; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Beetz S; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Liebich MJ; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Scharek N; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Schütz A; Protein Production & Characterization, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany., Sperling M; Multifunctional Colloids and Coating, Fraunhofer Institute for Applied Polymer Research (IAP), 14476, Potsdam-Golm, Germany., Lisurek M; Structural Chemistry and Computational Biophysics, Leibniz-Institut für Molekulare Pharmakologie (FMP), 13125, Berlin, Germany., Wang Y; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA., Spirohn K; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA., Hao T; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA., Calderwood MA; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA., Hill DE; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA., Landthaler M; RNA Biology and Posttranscriptional Regulation, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, Berlin Institute for Medical Systems Biology, 13125, Berlin, Germany.; Institute of Biology, Humboldt-Universität zu Berlin, 13125, Berlin, Germany., Olivet J; Laboratory of Viral Interactomes, Interdisciplinary Cluster for Applied Genoproteomics (GIGA)-Molecular Biology of Diseases, University of Liège, 4000, Liège, Belgium.; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA.; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Structural Biology Unit, Laboratory of Virology and Chemotherapy, Rega Institute for Medical Research, Department of Microbiology, Immunology and Transplantation, Katholieke Universiteit Leuven, 3000, Leuven, Belgium., Twizere JC; Laboratory of Viral Interactomes, Interdisciplinary Cluster for Applied Genoproteomics (GIGA)-Molecular Biology of Diseases, University of Liège, 4000, Liège, Belgium.; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; TERRA Teaching and Research Center, Gembloux Agro-Bio Tech, University of Liège, 5030, Gembloux, Belgium.; Laboratory of Algal Synthetic and Systems Biology, Division of Science and Math, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates., Vidal M; Center for Cancer Systems Biology (CCSB), Dana-Farber Cancer Institute, Boston, MA, 02215, USA.; Department of Genetics, Blavatnik Institute, Harvard Medical School, Boston, MA, 02115, USA., Wanker EE; Proteomics and Molecular Mechanisms of Neurodegenerative Diseases, Max Delbrück Center for Molecular Medicine in the Helmholtz Association, 13125, Berlin, Germany.

Publikováno v: BioRxiv : the preprint server for biology [bioRxiv] 2023 Jun 14. Date of Electronic Publication: 2023 Jun 14.