In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus
Abstract As of today, influenza viruses remain a relevant target for the development of antiviral compounds due to their rapid evolution and acquisition of the resistance to existing drugs. Fullerene derivatives have already shown the ability to successfully interact with viruses, and polyhydrated f...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-07-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-38128-3 |
| _version_ | 1827905482542546944 |
|---|---|
| author | Polina Zaremba Andrii Zaremba Krystyna Naumenko Mykhailo Yelipashev Svitlana Zahorodnia |
| author_facet | Polina Zaremba Andrii Zaremba Krystyna Naumenko Mykhailo Yelipashev Svitlana Zahorodnia |
| author_sort | Polina Zaremba |
| collection | DOAJ |
| description | Abstract As of today, influenza viruses remain a relevant target for the development of antiviral compounds due to their rapid evolution and acquisition of the resistance to existing drugs. Fullerene derivatives have already shown the ability to successfully interact with viruses, and polyhydrated fullerenes (or fullerenols) are particularly attractive due to their compatibility with biological fluids and low toxicity. Therefore, the goal of this work was to study the effect of two batches of a mixture of polyhydrated fullerenes with a mass ratio of 78.1% C60/C70 and 21.9% C76/C78/C84 on the influenza A (H1N1) virus. It was determined that the mixture of fullerenols, along with the low toxicity, showed high antiviral activity with a decrease in the viral infectious titer up to 4 orders of magnitude. In addition, studied fullerenols did not affect the hemagglutination process and did not show any significant prophylactic activity. With the help of molecular docking and molecular dynamics simulation, the likely target of fullerenols' action was determined—the binding site of the RNA primer of the viral RNA-dependent RNA polymerase. Therefore, we assume that the high antiviral effect of polyhydrated fullerenes on influenza A virus is related to their interaction with the viral RNA polymerase. |
| first_indexed | 2024-03-13T00:43:15Z |
| format | Article |
| id | doaj.art-17a55949ed5b4b1bb195f73591842dd8 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-13T00:43:15Z |
| publishDate | 2023-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-17a55949ed5b4b1bb195f73591842dd82023-07-09T11:11:23ZengNature PortfolioScientific Reports2045-23222023-07-0113111010.1038/s41598-023-38128-3In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virusPolina Zaremba0Andrii Zaremba1Krystyna Naumenko2Mykhailo Yelipashev3Svitlana Zahorodnia4Zabolotny Institute of Microbiology and Virology of NASUZabolotny Institute of Microbiology and Virology of NASUZabolotny Institute of Microbiology and Virology of NASUPrivate Research Laboratory “Yelipashev”Zabolotny Institute of Microbiology and Virology of NASUAbstract As of today, influenza viruses remain a relevant target for the development of antiviral compounds due to their rapid evolution and acquisition of the resistance to existing drugs. Fullerene derivatives have already shown the ability to successfully interact with viruses, and polyhydrated fullerenes (or fullerenols) are particularly attractive due to their compatibility with biological fluids and low toxicity. Therefore, the goal of this work was to study the effect of two batches of a mixture of polyhydrated fullerenes with a mass ratio of 78.1% C60/C70 and 21.9% C76/C78/C84 on the influenza A (H1N1) virus. It was determined that the mixture of fullerenols, along with the low toxicity, showed high antiviral activity with a decrease in the viral infectious titer up to 4 orders of magnitude. In addition, studied fullerenols did not affect the hemagglutination process and did not show any significant prophylactic activity. With the help of molecular docking and molecular dynamics simulation, the likely target of fullerenols' action was determined—the binding site of the RNA primer of the viral RNA-dependent RNA polymerase. Therefore, we assume that the high antiviral effect of polyhydrated fullerenes on influenza A virus is related to their interaction with the viral RNA polymerase.https://doi.org/10.1038/s41598-023-38128-3 |
| spellingShingle | Polina Zaremba Andrii Zaremba Krystyna Naumenko Mykhailo Yelipashev Svitlana Zahorodnia In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus Scientific Reports |
| title | In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus |
| title_full | In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus |
| title_fullStr | In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus |
| title_full_unstemmed | In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus |
| title_short | In vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza A (H1N1) virus |
| title_sort | in vitro and in silico studies of the antiviral activity of polyhydrated fullerenes against influenza a h1n1 virus |
| url | https://doi.org/10.1038/s41598-023-38128-3 |
| work_keys_str_mv | AT polinazaremba invitroandinsilicostudiesoftheantiviralactivityofpolyhydratedfullerenesagainstinfluenzaah1n1virus AT andriizaremba invitroandinsilicostudiesoftheantiviralactivityofpolyhydratedfullerenesagainstinfluenzaah1n1virus AT krystynanaumenko invitroandinsilicostudiesoftheantiviralactivityofpolyhydratedfullerenesagainstinfluenzaah1n1virus AT mykhailoyelipashev invitroandinsilicostudiesoftheantiviralactivityofpolyhydratedfullerenesagainstinfluenzaah1n1virus AT svitlanazahorodnia invitroandinsilicostudiesoftheantiviralactivityofpolyhydratedfullerenesagainstinfluenzaah1n1virus |