Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/22937
Title: p-cymene impairs SARS-CoV-2 and Influenza A (H1N1) viral replication: In silico predicted interaction with SARS-CoV-2 nucleocapsid protein and H1N1 nucleoprotein
Authors: Panagiotopoulos, Athanasios 
Tseliou, Melpomeni 
Karakasiliotis, Ioannis 
Kotzampasi, Danai Maria 
Daskalakis, Vangelis 
Kesesidis, Nikolaos 
Notas, George 
Lionis, Christos D. 
Kampa, Marilena 
Pirintsos, Stergios 
Sourvinos, George 
Castanas, Elias 
Major Field of Science: Natural Sciences
Field Category: Biological Sciences
Keywords: Ebola;SARS-CoV-2;Importin A;Influenza A;Nucleocapsid protein;Nucleoprotein;p-cymene;Rabies
Issue Date: Aug-2021
Source: Pharmacology Research & Perspectives, 2021, vol. 9, no. 4, articl. no. e00798
Volume: 9
Issue: 4
Journal: Pharmacology Research & Perspectives 
Abstract: Therapeutic regimens for the COVID-19 pandemics remain unmet. In this line, repurposing of existing drugs against known or predicted SARS-CoV-2 protein actions have been advanced, while natural products have also been tested. Here, we propose that p-cymene, a natural monoterpene, can act as a potential novel agent for the treatment of SARS-CoV-2-induced COVID-19 and other RNA-virus-induced diseases (influenza, rabies, Ebola). We show by extensive molecular simulations that SARS-CoV-2 C-terminal structured domain contains a nuclear localization signal (NLS), like SARS-CoV, on which p-cymene binds with low micromolar affinity, impairing nuclear translocation of this protein and inhibiting viral replication, as verified by preliminary in vitro experiments. A similar mechanism may occur in other RNA-viruses (influenza, rabies and Ebola), also verified in vitro for influenza, by interaction of p-cymene with viral nucleoproteins, and structural modification of their NLS site, weakening its interaction with importin A. This common mechanism of action renders therefore p-cymene as a possible antiviral, alone, or in combination with other agents, in a broad spectrum of RNA viruses, from SARS-CoV-2 to influenza A infections.
URI: https://hdl.handle.net/20.500.14279/22937
ISSN: 20521707
DOI: 10.1002/prp2.798
Rights: © The Authors. This is an open access article under the terms of the Creative Commons Attribution- NonCommercial- NoDerivs License.
Attribution-NonCommercial-NoDerivatives 4.0 International
Type: Article
Affiliation : University of Crete 
Democritus University of Thrace 
Cyprus University of Technology 
Nature Crete Pharmaceuticals 
Publication Type: Peer Reviewed
Appears in Collections:Άρθρα/Articles

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