Computational investigation of remdesivir, favipiravir, ribavirin, and their phosphate derivatives against Nipah virus RNA-dependent RNA polymerase

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-08-13 DOI:10.1080/08927022.2024.2387797

Vishal S. Patil, Sanjay H. Deshpande, Darasaguppe R. Harish, Pukar Khanal, Jameel M. Abduljalil, Subarna Roy

引用次数: 0

Abstract

Outbreaks of human Nipah virus (NiV) cases have recently been reported in several countries. With a mortality rate of around 80% and no known therapy, there is an urgent need to test existing antiv...

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针对尼帕病毒 RNA 依赖性 RNA 聚合酶的雷米替韦、法非拉韦、利巴韦林及其磷酸衍生物的计算研究

最近，一些国家报告爆发了人类尼帕病毒（NiV）病例。尼帕病毒的死亡率约为 80%，而且没有已知的治疗方法，因此迫切需要对现有的抗病毒药物进行测试。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.