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The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies
Institution:1. Department of Biophysics, Computational Biology and Molecular Simulations Laboratory, School of Medicine, Bahçe?ehir University, Istanbul, Turkey;2. Department of Medical Biology, School of Medicine, Bahçe?ehir University, Istanbul, Turkey;3. The Scientific and Technological Research Council of Turkey (TÜB?TAK) Marmara Research Center (MAM), Genetic Engineering and Biotechnology Institute, 41470 Gebze, Kocaeli;4. Brain Cancer Research and Therapy Laboratory, Koç University School of Medicine, 34450 Istanbul, Turkey;5. Koç University Research Center for Translational Medicine, 34450 Istanbul, Turkey;6. Department of Basic Sciences, Division of Medical Biology, Faculty of Medicine, University of Health Sciences, Istanbul, Turkey;7. Department of Molecular Biology and Genetics, Koç University, 34450 Istanbul, Turkey;8. Department of Medical Pharmacology, International School of Medicine, Istanbul Medipol University, Istanbul, Turkey;9. Department of Pharmacology, Computer-aided Drug Discovery Laboratory, Faculty of Pharmacy, Bezmialem Vakif University, Istanbul, Turkey;10. Department of Molecular Biology-Genetics and Biotechnology, Istanbul Technical University, 34485 Istanbul, Turkey;11. Faculty of Medicine, Mersin University, Mersin, Turkey;12. Faculty of Medicine, Istanbul Medeniyet University, Istanbul, Turkey;13. Faculty of Science, Necmettin Erbakan University, Konya, Turkey;14. Faculty of Science and Letters, Tokat Gaziosmanpa?a University, Tokat, Turkey
Abstract:
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  • Keywords:COVID-19  montelukast  molecular docking  MD simulations  drug repurposing  pseudovirus neutralization  virus neutralization
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