A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease

Hall Donald C.; Ji Hai-Feng

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A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease

机译：寻找在SARS-COV-2穗糖蛋白和3CL蛋白酶的Silico分子对接模型中治疗Covid-19的药物

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摘要

Background: The COVID-19 has now been declared a global pandemic by the World Health Organization. There is an emergent need to search for possible medications.

机译：背景：Covid-19现已被世界卫生组织宣布为全球大流行。出现需要寻找可能的药物。

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《Travel medicine and infectious disease》 |2020年第1期|共3页
作者
Hall Donald C.; Ji Hai-Feng;
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作者单位

Drexel Univ Dept Chem Philadelphia PA 19104 USA;

Drexel Univ Dept Chem Philadelphia PA 19104 USA;

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原文格式 PDF
正文语种 eng
中图分类内科学;
关键词
SARS-CoV-2; Coronavirus; Molecular docking; Approved drugs; Medications;

机译：SARS-COV-2;冠状病毒;分子对接;批准的药物;药物;

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1. A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease [J] . Hall Donald C., Ji Hai-Feng Travel medicine and infectious disease . 2020,第1期

机译：寻找在SARS-COV-2穗糖蛋白和3CL蛋白酶的Silico分子对接模型中治疗Covid-19的药物
2. Screening of cryptogamic secondary metabolites as putative inhibitors of SARS-CoV-2 main protease and ribosomal binding domain of spike glycoprotein by molecular docking and molecular dynamics approaches [J] . Prateeksha G., Rana Tikam S., Asthana Ashish K., Journal of Molecular Structure . 2021,第1期

机译：用分子对接和分子动力学方法将CryptoGamic次级代谢产物作为SARS-COV-2主要蛋白酶和染色糖蛋白核糖体结合结构域的推定抑制剂
3. In silico detection of inhibitor potential of Passiflora compounds against SARS-Cov-2(Covid-19) main protease by using molecular docking and dynamic analyses [J] . Yalcin Serap, Yalcinkaya Seda, Ercan Fahriye Journal of Molecular Structure . 2021,第1期

机译：通过使用分子对接和动态分析，在Silico检测与SARS-COV-2（Covid-19）主蛋白酶对SARS-COV-2（Covid-19）的抑制剂潜力
4. In Silico-Guided Discovery of Potential HIV-1 Entry Inhibitors Mimicking bNAb N6: Virtual Screening, Docking, Molecular Dynamics, and Post-Molecular Modeling Analysis [C] . Alexander M. Andrianov, Grigory I. Nikolaev, Yuri V. Kornoushenko, International Symposium on Bioinformatics Research and Applications . 2020

机译：在计算机模拟下发现模仿bNAb N6的潜在HIV-1进入抑制剂：虚拟筛选，对接，分子动力学和分子后建模分析
5. In silico screening for novel inhibitors of human neutrophil elastase using an integrated approach of quantitative structure activity relationship modeling and protein-ligand docking. [D] . Nguyen, Christian V. 2014

机译：在计算机上使用定量结构活性关系建模和蛋白质-配体对接的集成方法筛选人类嗜中性粒细胞弹性蛋白酶的新型抑制剂。
6. A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease [O] . Donald C. Hall, Jr., Hai-Feng Ji -1

机译：通过SARS-CoV-2穗糖蛋白和3CL蛋白酶的计算机分子对接模型寻找治疗COVID-19的药物
7. A phytochemical-based medication search for the SARS-CoV-2 infection by molecular docking models towards spike glycoproteins and main proteases [O] . Anju Choorakottayil Pushkaran, Prajeesh Nath EN, Anu R. Melge, 2021

机译：一种基于植物化学的药物治疗SARS-COV-2感染的分子对接模型朝向穗糖蛋白和主要蛋白酶
8. Identifying Potential Protein Targets for Toluene Using a Molecular Similarity Search, in Silico Docking and in Vitro Validation. [R] . Chushak, Y. G., Chapleau, R. R., Frey, J. S., 2015

机译：使用分子相似性搜索，在硅胶对接和体外验证中鉴定甲苯的潜在蛋白质靶标。

A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease

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