{"title":"迷迭香酸:针对登革热病毒的潜在抗病毒剂--硅学评估","authors":"","doi":"10.1016/j.ipha.2023.12.006","DOIUrl":null,"url":null,"abstract":"<div><p>A number of dengue viruses can seriously impact public health, and their spread has long been a concern. The development and administration of antiviral drugs have played a crucial role in combating viral infections in recent years. These drugs have shown that they can effectively inhibit viral replication and alleviate associated viral complications. The aim of this article is to provide an overview of current evidence on the effectiveness of administered antiviral drugs in controlling viral replication and treating viral problems. In the present study, the PyRx tool was used to docked proteins and ligands. In summary, the present study shows that rosmarinic acid has remarkable docking values against various dengue viral targets. Specifically, it shows a docking value of −8.0 for DENV1-E111, -8.1 for the RNA-dependent RNA polymerase (NS5), −8.2 for the non-structural A chain protein 1 (NS1), and −8.6 for the RNA helicase. These results suggest that rosmarinic acid may have an antiviral effect against the virus's target proteins. Further research is needed to investigate the therapeutic effects of rosmarinic acid in fighting viral infections. In addition, many enzymatic activities of rosmarinic acid have been reported by the PASS (Prediction of Activity Spectra for Substances) tool. The present investigation led to the definitive conclusion that rosmarinic acid possesses remarkable antiviral properties. The present study is promising for future applications, particularly in the search for a drug molecule that can effectively combat a variety of viral infections.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 4","pages":"Pages 528-539"},"PeriodicalIF":0.0000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001326/pdfft?md5=8650c7f8b57320cf82e302dfab474ce1&pid=1-s2.0-S2949866X23001326-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation\",\"authors\":\"\",\"doi\":\"10.1016/j.ipha.2023.12.006\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A number of dengue viruses can seriously impact public health, and their spread has long been a concern. 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Further research is needed to investigate the therapeutic effects of rosmarinic acid in fighting viral infections. In addition, many enzymatic activities of rosmarinic acid have been reported by the PASS (Prediction of Activity Spectra for Substances) tool. The present investigation led to the definitive conclusion that rosmarinic acid possesses remarkable antiviral properties. 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引用次数: 0
摘要
一些登革热病毒会严重影响公众健康,其传播问题一直令人担忧。近年来,抗病毒药物的开发和应用在抗击病毒感染方面发挥了重要作用。事实证明,这些药物能有效抑制病毒复制,缓解相关的病毒并发症。本文旨在概述目前有关给药抗病毒药物在控制病毒复制和治疗病毒问题方面有效性的证据。本研究使用 PyRx 工具对接蛋白质和配体。总之,本研究表明,迷迭香酸对各种登革热病毒靶标具有显著的对接价值。具体来说,它与 DENV1-E111 的对接值为-8.0,与 RNA 依赖性 RNA 聚合酶(NS5)的对接值为-8.1,与非结构 A 链蛋白 1(NS1)的对接值为-8.2,与 RNA 螺旋酶的对接值为-8.6。这些结果表明,迷迭香酸可能对病毒的靶蛋白有抗病毒作用。关于迷迭香酸在抗病毒感染方面的治疗效果,还需要进一步研究。此外,PASS(Prediction of Activity Spectra for Substances,物质活性谱预测)工具还报告了许多香豆素酸的酶活性。本研究得出的明确结论是,迷迭香酸具有显著的抗病毒特性。本研究有望在未来的应用中,特别是在寻找能有效抗击各种病毒感染的药物分子方面大有可为。
Rosmarinic acid: Potential antiviral agent against dengue virus - In silico evaluation
A number of dengue viruses can seriously impact public health, and their spread has long been a concern. The development and administration of antiviral drugs have played a crucial role in combating viral infections in recent years. These drugs have shown that they can effectively inhibit viral replication and alleviate associated viral complications. The aim of this article is to provide an overview of current evidence on the effectiveness of administered antiviral drugs in controlling viral replication and treating viral problems. In the present study, the PyRx tool was used to docked proteins and ligands. In summary, the present study shows that rosmarinic acid has remarkable docking values against various dengue viral targets. Specifically, it shows a docking value of −8.0 for DENV1-E111, -8.1 for the RNA-dependent RNA polymerase (NS5), −8.2 for the non-structural A chain protein 1 (NS1), and −8.6 for the RNA helicase. These results suggest that rosmarinic acid may have an antiviral effect against the virus's target proteins. Further research is needed to investigate the therapeutic effects of rosmarinic acid in fighting viral infections. In addition, many enzymatic activities of rosmarinic acid have been reported by the PASS (Prediction of Activity Spectra for Substances) tool. The present investigation led to the definitive conclusion that rosmarinic acid possesses remarkable antiviral properties. The present study is promising for future applications, particularly in the search for a drug molecule that can effectively combat a variety of viral infections.