槲皮素水合物作为Oropouche病毒抗病毒治疗药物的潜力探索

G. Menezes, M. Saivish, L. Sacchetto, G. C. D. da Silva, Igor da Silva Teixeira, Natalia Franco Bueno Mistrão, M. Nogueira, J. I. N. Oliveira, K. S. Bezerra, R. D. da Silva, U. L. Fulco
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引用次数: 0

摘要

Oropouche病毒是一种引起Oropouche热的正布尼亚病毒,这种疾病主要影响南美洲和中美洲的数千人。目前,还没有针对这种病毒的特异性抗病毒治疗或疫苗,因此迫切需要安全、负担得起和有效的治疗方法。天然产物是生物活性化合物的重要来源,人们对鉴定可用于治疗病毒性疾病的天然生物活性分子越来越感兴趣。水合槲皮素是一种被归类为类黄酮的化合物,由于其潜在的健康益处和存在于各种植物性食物中,已经引起了科学界的关注。本研究旨在研究水合槲皮素对口腔病毒(Oropouche virus, OROV)的体外抗病毒活性。此外,我们打算通过计算机方法探索其作用模式。采用Vero细胞对化合物的细胞毒性和抗病毒活性进行了评价。此外,还通过分子对接、分子动力学模拟、分子力学泊松-玻尔兹曼表面积(MM/PBSA)和量子力学分析等方法对OROV与Gc蛋白的相互作用进行了研究。实验结果表明,该化合物对病毒具有高活性,在感染后处理条件下,其对OROV的EC50值为53.5±26.5µM。本研究表明该化合物是一种很有前途的抗病毒药物;然而,本研究提出的作用机制需要通过未来的实验验证。
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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, 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.
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