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Computational Drug Discovery Approach for Drug Design against Zika Virus

机译:针对寨卡病毒的药物设计的计算药物发现方法

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High Throughput Virtual Screening of various candidate molecules to predict the possibility for acting as inhibitors against NS5 protein of Zika Virus is done in this work. The ontology of NS5 protein of ZIKV is to replicate its viral RNA by enzyme RNA Dependent RNA polymerase and mechanize its viral RNA modification functionality by methyltransferase. Objective of the current study is to screen out potential inhibitor and design drug against NS5 protein which is largely encoded with above 600 amino acids having two subunits. This work will present a valuable opportunity to scientific community for the prediction of efficient novel therapeutic remedies for controlling Zika. The screened ligand could be used as a potential inhibitor against ZIKV.
机译:这项工作完成了对各种候选分子的高通量虚拟筛选,以预测充当寨卡病毒NS5蛋白抑制剂的可能性。 ZIKV的NS5蛋白的本体论是通过酶RNA依赖性RNA聚合酶复制其病毒RNA,并通过甲基转移酶机械化其病毒RNA修饰功能。本研究的目的是筛选潜在的抑制剂并设计针对NS5蛋白的药物,该蛋白主要由600个以上具有两个亚基的氨基酸编码。这项工作将为科学界提供宝贵的机会,以预测控制Zika的有效新型治疗方法。筛选的配体可用作ZIKV的潜在抑制剂。

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