Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus
The Oropouche virus is an orthobunyavirus responsible for causing Oropouche fever, a disease that primarily affects thousands of people in South and Central America. Currently, no specific antiviral treatments or vaccines are available against this virus, highlighting the urgent need for safe, affor...
| Main Authors: | , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-08-01
|
| Series: | Biophysica |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4125/3/3/32 |
| _version_ | 1797581030915309568 |
|---|---|
| author | Gabriela de Lima Menezes Marielena Vogel Saivish Lívia Sacchetto Gislaine Celestino Dutra da Silva Igor da Silva Teixeira Natalia Franco Bueno Mistrão Maurício Lacerda Nogueira Jonas Ivan Nobre Oliveira Katyanna Sales Bezerra Roosevelt Alves da Silva Umberto Laino Fulco |
| author_facet | Gabriela de Lima Menezes Marielena Vogel Saivish Lívia Sacchetto Gislaine Celestino Dutra da Silva Igor da Silva Teixeira Natalia Franco Bueno Mistrão Maurício Lacerda Nogueira Jonas Ivan Nobre Oliveira Katyanna Sales Bezerra Roosevelt Alves da Silva Umberto Laino Fulco |
| author_sort | Gabriela de Lima Menezes |
| collection | DOAJ |
| description | The Oropouche virus is an orthobunyavirus responsible for causing Oropouche fever, a disease that primarily affects thousands of people in South and Central America. Currently, no specific antiviral treatments or vaccines are available against this virus, highlighting the urgent need for safe, affordable, and effective therapies. Natural products serve as an important source of bioactive compounds, and there is growing interest in identifying natural bioactive molecules that could be used for treating viral diseases. Quercetin hydrate is a compound classified as a flavonoid, which has garnered scientific attention due to its potential health benefits and its presence in various plant-based foods. In this study, we aim to evaluate the in vitro antiviral activity of quercetin hydrate against the Oropouche virus (OROV). Furthermore, we intend to explore its mode of action through in silico approaches. The cytotoxicity and antiviral activity of the compound were assessed using Vero cells. In addition, in silico studies were also performed through molecular docking, molecular dynamics simulations, Molecular Mechanics Poisson–Boltzmann surface area (MM/PBSA), and quantum-mechanical analysis in order to evaluate the interaction with the Gc protein of OROV. The assay revealed that the compound was highly active against the virus, inhibiting OROV with an EC50 value of 53.5 ± 26.5 µM under post-infection treatment conditions. The present study demonstrates that the compound is a promising antiviral agent; however, the mechanisms of action proposed in this study need to be experimentally verified by future assays. |
| first_indexed | 2024-03-10T22:59:21Z |
| format | Article |
| id | doaj.art-6c1011bc0e2b46ce8d1ffea6480154d1 |
| institution | Directory Open Access Journal |
| issn | 2673-4125 |
| language | English |
| last_indexed | 2024-03-10T22:59:21Z |
| publishDate | 2023-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Biophysica |
| spelling | doaj.art-6c1011bc0e2b46ce8d1ffea6480154d12023-11-19T09:46:55ZengMDPI AGBiophysica2673-41252023-08-013348550010.3390/biophysica3030032Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche VirusGabriela de Lima Menezes0Marielena Vogel Saivish1Lívia Sacchetto2Gislaine Celestino Dutra da Silva3Igor da Silva Teixeira4Natalia Franco Bueno Mistrão5Maurício Lacerda Nogueira6Jonas Ivan Nobre Oliveira7Katyanna Sales Bezerra8Roosevelt Alves da Silva9Umberto Laino Fulco10Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande no Norte, Natal 59072-970, BrazilDepartamento de Doenças Dermatológicas, Infecciosas e Parasitárias, Faculdade de Medicina de São José do Rio Preto (FAMERP), São José do Rio Preto 15090-000, BrazilDepartamento de Doenças Dermatológicas, Infecciosas e Parasitárias, Faculdade de Medicina de São José do Rio Preto (FAMERP), São José do Rio Preto 15090-000, BrazilDepartamento de Doenças Dermatológicas, Infecciosas e Parasitárias, Faculdade de Medicina de São José do Rio Preto (FAMERP), São José do Rio Preto 15090-000, BrazilDepartamento de Doenças Dermatológicas, Infecciosas e Parasitárias, Faculdade de Medicina de São José do Rio Preto (FAMERP), São José do Rio Preto 15090-000, BrazilDepartamento de Doenças Dermatológicas, Infecciosas e Parasitárias, Faculdade de Medicina de São José do Rio Preto (FAMERP), São José do Rio Preto 15090-000, BrazilDepartamento de Doenças Dermatológicas, Infecciosas e Parasitárias, Faculdade de Medicina de São José do Rio Preto (FAMERP), São José do Rio Preto 15090-000, BrazilDepartamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande no Norte, Natal 59072-970, BrazilDepartamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande no Norte, Natal 59072-970, BrazilNúcleo Colaborativo de Biosistemas, Universidade Federal de Jataí, Jataí 75801-615, BrazilDepartamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande no Norte, Natal 59072-970, BrazilThe Oropouche virus is an orthobunyavirus responsible for causing Oropouche fever, a disease that primarily affects thousands of people in South and Central America. Currently, no specific antiviral treatments or vaccines are available against this virus, highlighting the urgent need for safe, affordable, and effective therapies. Natural products serve as an important source of bioactive compounds, and there is growing interest in identifying natural bioactive molecules that could be used for treating viral diseases. Quercetin hydrate is a compound classified as a flavonoid, which has garnered scientific attention due to its potential health benefits and its presence in various plant-based foods. In this study, we aim to evaluate the in vitro antiviral activity of quercetin hydrate against the Oropouche virus (OROV). Furthermore, we intend to explore its mode of action through in silico approaches. The cytotoxicity and antiviral activity of the compound were assessed using Vero cells. In addition, in silico studies were also performed through molecular docking, molecular dynamics simulations, Molecular Mechanics Poisson–Boltzmann surface area (MM/PBSA), and quantum-mechanical analysis in order to evaluate the interaction with the Gc protein of OROV. The assay revealed that the compound was highly active against the virus, inhibiting OROV with an EC50 value of 53.5 ± 26.5 µM under post-infection treatment conditions. The present study demonstrates that the compound is a promising antiviral agent; however, the mechanisms of action proposed in this study need to be experimentally verified by future assays.https://www.mdpi.com/2673-4125/3/3/32in siliconatural productsquercetin hydrateantiviralarboviruses |
| spellingShingle | Gabriela de Lima Menezes Marielena Vogel Saivish Lívia Sacchetto Gislaine Celestino Dutra da Silva Igor da Silva Teixeira Natalia Franco Bueno Mistrão Maurício Lacerda Nogueira Jonas Ivan Nobre Oliveira Katyanna Sales Bezerra Roosevelt Alves da Silva Umberto Laino Fulco Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus Biophysica in silico natural products quercetin hydrate antiviral arboviruses |
| title | Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus |
| title_full | Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus |
| title_fullStr | Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus |
| title_full_unstemmed | Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus |
| title_short | Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus |
| title_sort | exploring quercetin hydrate s potential as an antiviral treatment for oropouche virus |
| topic | in silico natural products quercetin hydrate antiviral arboviruses |
| url | https://www.mdpi.com/2673-4125/3/3/32 |
| work_keys_str_mv | AT gabrieladelimamenezes exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT marielenavogelsaivish exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT liviasacchetto exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT gislainecelestinodutradasilva exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT igordasilvateixeira exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT nataliafrancobuenomistrao exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT mauriciolacerdanogueira exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT jonasivannobreoliveira exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT katyannasalesbezerra exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT rooseveltalvesdasilva exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus AT umbertolainofulco exploringquercetinhydratespotentialasanantiviraltreatmentfororopouchevirus |