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Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study

机译：HIV-1蛋白酶抑制剂的可能性 - 临床试验药物作为SARS-COV-2主要蛋白酶的重新灌注药物：分子对接，分子动力学和结合无能量模拟研究

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Iruthayaraj Ancy; Mugudeeswaran Sivanandam; Poomani Kumaradhas;
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1. In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing [J] . Yogesh Kumar, Harvijay Singh, Chirag N. Patel Journal of infection and public health. . 2020,第9期

机译：在SARS-COV-2主要蛋白酶的潜在抑制剂的潜在抑制剂中的硅预测使用分子对接和动力学模拟基于药物重新估算
2. Raltegravir, Indinavir, Tipranavir, Dolutegravir, and Etravirine against main protease and RNA-dependent RNA polymerase of SARS-CoV-2: A molecular docking and drug repurposing approach [J] . Purushothaman Indu, Marimuthu Ragavan Rameshkumar, Narasingam Arunagirinathan, Journal of infection and public health. . 2020,第12期

机译：RALTEGRAVIR，INDINAVIR，TIPRANAVIR，DOLUTEGRAVIR和etravirine针对SARS-COV-2的主要蛋白酶和RNA依赖性RNA聚合酶：分子对接和药物重新施用方法
3. Molecular Dynamics and Free Energy Studies on the Wild-Type and Mutated HIV-1 Protease Complexed with Four Approved Drugs: Mechanism of Binding and Drug Resistance [J] . Alcaro S, Artese A, Ceccherini-Silberstein F, Journal of chemical information and modeling . 2009,第7期

机译：野生型和突变的HIV-1蛋白酶与四种批准药物复合的分子动力学和自由能研究：结合和耐药性的机制
4. Molecular modeling and binding energy calculations for drug resistant mutations in HIV-1 protease-inhibitor complexes [C] . Mark D.Shenderovich, Vladimir Tseitin, Cindy L.Fisher, the International Peptide Symposium . 2001

机译：HIV-1蛋白酶抑制剂复合物中耐药突变的分子建模和结合能量计算
5. Crystallographic, molecular dynamics, and enzymatic studies of multi-drug resistant HIV-1 protease and implications for structure based drug design (project 1); crystallographic studies of human myelin protein zero (project 2). [D] . Liu, Zhigang. 2011

机译：多药耐药HIV-1蛋白酶的晶体学，分子动力学和酶学研究及其对基于结构的药物设计的启示（项目1）；人髓磷脂蛋白零的晶体学研究（项目2）。
6. Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking molecular dynamics and binding free energy simulation study [O] . Iruthayaraj Ancy, Mugudeeswaran Sivanandam, Poomani Kumaradhas -1

机译：HIV-1蛋白酶抑制剂的可能性 - 临床试验药物作为SARS-COV-2主要蛋白酶的重新灌注药物：分子对接分子动力学和结合无能量模拟研究
7. Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19 [O] . Himanshu Rai, Atanu Barik, Yash Pal Singh, 2021

机译：用于SARS-COV-2主要蛋白酶的选择性潜在抗病毒剂的呼吸诱导/毒性特性的分子对接，结合模式分析，分子动力学和预测：对抗Covid-19的药物重新施加措施
8. Insights into the Structural Function of the Complex of HIV-1 Protease with TMC-126: Molecular Dynamics Simulations and Free-Energy Calculations. [R] . Li, D., Han, J. G., Chen, H., 2012

机译：用TmC-126对HIV-1蛋白酶复合物的结构功能的见解：分子动力学模拟和自由能计算。

Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study

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