Department of Chemistry, Sri Venkateswara University, Tirupati, India.
Department of Zoology, Faculty of Humanities and Sciences, Sri Venkateswara Vedic University, Tirupati, India.
J Recept Signal Transduct Res. 2020 Oct;40(5):426-435. doi: 10.1080/10799893.2020.1747492. Epub 2020 Apr 5.
Outstanding increase of oral absorption, bioavailability, and antiviral efficacy of phosphorylated nucleosides and basic antiviral influence of abacavir is the central idea for the development of new series of phosphorylated abacavir (ABC) derivatives. The designed compounds were primarily screened for antiviral nature against HN protein of NDV and VP7 protein of BTV using the molecular environment approach. Out of all the designed compounds, the compounds which are having higher binding energies against these two viral strains were prompted for the synthesis of the target compounds Among the synthesized title compounds the compounds which have exhibited higher dock scores akin to the rest of the compounds were then selected and screened for the antiviral activity against NDV and BTV infected embryonated eggs and BHK 21 cell lines through the and approaches. The results revealed that all the designed compounds have formed higher binding energies against both the targets. Among all, the compounds which are selected based on their dock scores such as and against NDV and and against BTV have shown significant antiviral activity against HN protein of NDV, VP7 protein of Bluetongue virus in both NDV- and BTV-treated embryonated eggs and BHK 21 cell lines. Hence, it is concluded that, the best lead compounds will stand as the potential antiviral agents and prompted them as virtuous therapeutics against NDV and BTV in future.
新系列磷酸化阿巴卡韦(ABC)衍生物的开发,是以提高口服吸收、生物利用度和抗病毒功效以及阿德福韦的基本抗病毒作用为中心思想。设计的化合物主要通过分子环境方法筛选对 NDV 的 HN 蛋白和 BTV 的 VP7 蛋白的抗病毒性质。在所有设计的化合物中,针对这两种病毒株具有更高结合能的化合物被提示用于合成目标化合物。在所合成的标题化合物中,与其他化合物具有更高对接评分的化合物被选择并通过 和 方法筛选对 NDV 和 BTV 感染的鸡胚和 BHK-21 细胞系的抗病毒活性。结果表明,所有设计的化合物均针对两种靶标形成更高的结合能。在所有化合物中,基于其对接评分(如针对 NDV 的 和 以及针对 BTV 的 和 )选择的化合物对 NDV 的 HN 蛋白和 BTV 的 VP7 蛋白均显示出针对 NDV 和 BTV 处理的鸡胚和 BHK-21 细胞系的显著抗病毒活性。因此,可以得出结论,最佳先导化合物将成为有潜力的抗病毒药物,并在未来将其作为对抗 NDV 和 BTV 的良好治疗方法。