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l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells

The COVID-19 pandemic outbreak prompts an urgent need for efficient therapeutics, and repurposing of known drugs has been extensively used in an attempt to get to anti-SARS-CoV-2 agents in the shortest possible time. The glycoside rutin shows manifold pharmacological activities and, despite its use...

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Autores principales: Sancineto, Luca, Ostacolo, Carmine, Ortega-Alarcon, David, Jimenez-Alesanco, Ana, Ceballos-Laita, Laura, Vega, Sonia, Abian, Olga, Velazquez-Campoy, Adrian, Moretti, Silvia, Dabrowska, Agnieszka, Botwina, Pawel, Synowiec, Aleksandra, Kula-Pacurar, Anna, Pyrc, Krzysztof, Iraci, Nunzio, Santi, Claudio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512140/
https://www.ncbi.nlm.nih.gov/pubmed/34641606
http://dx.doi.org/10.3390/molecules26196062
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author Sancineto, Luca
Ostacolo, Carmine
Ortega-Alarcon, David
Jimenez-Alesanco, Ana
Ceballos-Laita, Laura
Vega, Sonia
Abian, Olga
Velazquez-Campoy, Adrian
Moretti, Silvia
Dabrowska, Agnieszka
Botwina, Pawel
Synowiec, Aleksandra
Kula-Pacurar, Anna
Pyrc, Krzysztof
Iraci, Nunzio
Santi, Claudio
author_facet Sancineto, Luca
Ostacolo, Carmine
Ortega-Alarcon, David
Jimenez-Alesanco, Ana
Ceballos-Laita, Laura
Vega, Sonia
Abian, Olga
Velazquez-Campoy, Adrian
Moretti, Silvia
Dabrowska, Agnieszka
Botwina, Pawel
Synowiec, Aleksandra
Kula-Pacurar, Anna
Pyrc, Krzysztof
Iraci, Nunzio
Santi, Claudio
author_sort Sancineto, Luca
collection PubMed
description The COVID-19 pandemic outbreak prompts an urgent need for efficient therapeutics, and repurposing of known drugs has been extensively used in an attempt to get to anti-SARS-CoV-2 agents in the shortest possible time. The glycoside rutin shows manifold pharmacological activities and, despite its use being limited by its poor solubility in water, it is the active principle of many pharmaceutical preparations. We herein report our in silico and experimental investigations of rutin as a SARS-CoV-2 Mpro inhibitor and of its water solubility improvement obtained by mixing it with l-arginine. Tests of the rutin/l-arginine mixture in a cellular model of SARS-CoV-2 infection highlighted that the mixture still suffers from unfavorable pharmacokinetic properties, but nonetheless, the results of this study suggest that rutin might be a good starting point for hit optimization.
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spelling pubmed-85121402021-10-14 l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells Sancineto, Luca Ostacolo, Carmine Ortega-Alarcon, David Jimenez-Alesanco, Ana Ceballos-Laita, Laura Vega, Sonia Abian, Olga Velazquez-Campoy, Adrian Moretti, Silvia Dabrowska, Agnieszka Botwina, Pawel Synowiec, Aleksandra Kula-Pacurar, Anna Pyrc, Krzysztof Iraci, Nunzio Santi, Claudio Molecules Article The COVID-19 pandemic outbreak prompts an urgent need for efficient therapeutics, and repurposing of known drugs has been extensively used in an attempt to get to anti-SARS-CoV-2 agents in the shortest possible time. The glycoside rutin shows manifold pharmacological activities and, despite its use being limited by its poor solubility in water, it is the active principle of many pharmaceutical preparations. We herein report our in silico and experimental investigations of rutin as a SARS-CoV-2 Mpro inhibitor and of its water solubility improvement obtained by mixing it with l-arginine. Tests of the rutin/l-arginine mixture in a cellular model of SARS-CoV-2 infection highlighted that the mixture still suffers from unfavorable pharmacokinetic properties, but nonetheless, the results of this study suggest that rutin might be a good starting point for hit optimization. MDPI 2021-10-07 /pmc/articles/PMC8512140/ /pubmed/34641606 http://dx.doi.org/10.3390/molecules26196062 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sancineto, Luca
Ostacolo, Carmine
Ortega-Alarcon, David
Jimenez-Alesanco, Ana
Ceballos-Laita, Laura
Vega, Sonia
Abian, Olga
Velazquez-Campoy, Adrian
Moretti, Silvia
Dabrowska, Agnieszka
Botwina, Pawel
Synowiec, Aleksandra
Kula-Pacurar, Anna
Pyrc, Krzysztof
Iraci, Nunzio
Santi, Claudio
l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
title l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
title_full l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
title_fullStr l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
title_full_unstemmed l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
title_short l-Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cells
title_sort l-arginine improves solubility and anti sars-cov-2 mpro activity of rutin but not the antiviral activity in cells
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512140/
https://www.ncbi.nlm.nih.gov/pubmed/34641606
http://dx.doi.org/10.3390/molecules26196062
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