论文标题
与betalains和alfa-bisabolol的SARS-COV蛋白质NSP-12的对接研究
Docking study for Protein Nsp-12 of SARS-CoV with Betalains and Alfa-Bisabolol
论文作者
论文摘要
当前的健康危机测试了现代科学和医学对寻找新的Covid-19疾病的治疗方法的反应。抗病毒药(例如Remdesivir)的世界阶段的介绍,遵守具有多种理论,计算和实验工具的生物活性分子的持续研究。 Covid等疾病:19提醒我们,针对治疗目的的活性成分的研究应涵盖所有可用来源,例如植物。在目前的工作中,在计算机工具中,特别是对接研究中,用于评估SARS-COV的NSP-12蛋白上的抗病毒药的结合和抑制能力,SARS-COV的NSP-12蛋白是SARS-COV病毒复制的关键聚合酶。然后,将结果与对SARS-COV蛋白的两种天然产物(α-甲替勒和Betalain)进行对接分析,以便找到更多用于COVID-19病毒复制抑制剂的候选者。除了越来越多的研究有助于解释SARS-COV-2病毒的特定机制外,还要记住我们将不得不从现在开始不确定地生活在病毒中。最后,天然产物(例如Betalains)可能具有较小的抑制作用,但与其他协同活性成分结合使用,它们可能会增加对SARS-COV NSP-12蛋白的抑制作用。
The present Health Crisis tests the response of modern science and medicine to finding treatment for a new COVID-19 disease. The presentation on the world stage of antivirals such as remdesivir, obeys to the continuous investigation of biologically active molecules with multiple theoretical, computational and experimental tools. Diseases such as COVID:19 remind us that research into active ingredients for therapeutic purposes should cover all available sources, such as plants. In the present work, in silico tools, specifically docking study, were used to evaluate the binding and inhibition capacity of an antiviral such as remdesivir on the NSP-12 protein of SARS-CoV, a polymerase that is key in the replication of the SARS-COV virus. The results are then compared with a docking analysis of two natural products (Alpha-Bisabolol and betalain) with SARS-CoV protein, in order to find more candidates for COVID-19 virus replication inhibitors. in addition to increasing studies that help explain the specific mechanisms of the SARs-CoV-2 virus, remembering that we will have to live with the virus for an indefinite time from now on. Finally, natural products such as betalains may have inhibitory effects of a small order but in conjunction with other synergistic active ingredients they may increase their inhibition effect on NSP-12 protein of SARS-CoV.