Study of the Langat virus RNA-dependent RNA polymerase through homology modeling.

EMBnet.journal Pub Date : 2021-01-01 Epub Date: 2021-06-29 DOI:10.14806/ej.26.1.944
Kalliopi Io Diakou, Thanasis Mitsis, Katerina Pierouli, Eleni Papakonstantinou, Vasileios Megalooikonomou, Aspasia Efthimiadou, Dimitrios Vlachakis
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Abstract

Langat virus is a member of the Flaviviridae family and a close relative of a group of important tick-borne viruses that cause human encephalitis. RNA-dependent RNA polymerase is a significant component of the replication mechanism of the Flaviviridae viral family. In the present work, a three-dimensional model of the Langat virus RNA-dependent RNA polymerase was designed through homology modeling. The experimentally determined structure of the RNA-dependent RNA polymerase of Dengue virus type II, another member of the same viral family, was employed as template for the homology modeling process. The resulting model underwent a series of optimisations and its quality was verified using the Verify3D algorithm. Important functional characteristics of the family of viral RNA-dependent RNA polymerases were identified in the generated model, thus affirming the potential for its use in the possible design of anti-viral agents for Langat virus.

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通过同源建模研究Langat病毒RNA依赖的RNA聚合酶。
Langat病毒是黄病毒科的一员,是引起人类脑炎的一组重要的蜱传病毒的近亲。RNA依赖性RNA聚合酶是黄病毒科病毒复制机制的重要组成部分。在本工作中,通过同源性建模设计了Langat病毒RNA依赖RNA聚合酶的三维模型。实验确定的同一病毒家族的另一成员登革热病毒II型的RNA依赖RNA聚合酶的结构被用作同源性建模过程的模板。生成的模型经过一系列优化,并使用Verify3D算法验证其质量。在生成的模型中确定了病毒RNA依赖RNA聚合酶家族的重要功能特征,从而肯定了其在设计Langat病毒抗病毒药物方面的潜力。
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