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Research Articles

A computational approach to drug repurposing against SARS-CoV-2 RNA dependent RNA polymerase (RdRp)

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Pages 1101-1108 | Received 13 Jul 2020, Accepted 06 Sep 2020, Published online: 18 Sep 2020

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Dylan Brunt, Phillip M. Lakernick & Chun Wu. (2022) Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations. Scientific Reports 12:1.
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Amit Lochab, Rakhi Thareja, Sangeeta D. Gadre & Reena Saxena. (2021) Potential Protein and Enzyme Targets for In‐silico Development and Repurposing of Drug Against Coronaviruses. ChemistrySelect 6:46, pages 13363-13381.
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Alberto Ongaro, Erika Oselladore, Maurizio Memo, Giovanni Ribaudo & Alessandra Gianoncelli. (2021) Insight into the LFA-1/SARS-CoV-2 Orf7a Complex by Protein–Protein Docking, Molecular Dynamics, and MM-GBSA Calculations. Journal of Chemical Information and Modeling 61:6, pages 2780-2787.
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Raul Pérez-Moraga, Jaume Forés-Martos, Beatriz Suay-García, Jean-Louis Duval, Antonio Falcó & Joan Climent. (2021) A COVID-19 Drug Repurposing Strategy through Quantitative Homological Similarities Using a Topological Data Analysis-Based Framework. Pharmaceutics 13:4, pages 488.
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Marco Bortoli, Andrea Madabeni, Pablo Andrei Nogara, Folorunsho B. Omage, Giovanni Ribaudo, Davide Zeppilli, Joao B. T. Rocha & Laura Orian. (2021) Chalcogen-Nitrogen Bond: Insights into a Key Chemical Motif. Catalysts 11:1, pages 114.
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Devvret Verma, Debasis Mitra, Manish Paul, Priya Chaudhary, Anshul Kamboj, Hrudayanath Thatoi, Pracheta Janmeda, Divya Jain, Periyasamy Panneerselvam, Rakesh Shrivastav, Kumud Pant & Pradeep K. Das Mohapatra. (2021) Potential inhibitors of SARS-CoV-2 (COVID 19) proteases PLpro and Mpro/ 3CLpro: molecular docking and simulation studies of three pertinent medicinal plant natural components. Current Research in Pharmacology and Drug Discovery 2, pages 100038.
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Koichi Watashi. (2021) Identifying and repurposing antiviral drugs against severe acute respiratory syndrome coronavirus 2 with in silico and in vitro approaches. Biochemical and Biophysical Research Communications 538, pages 137-144.
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