A molecular docking study repurposes FDA approved iron oxide nanoparticles to treat and control COVID-19 infection

被引:168
作者
Abo-zeid, Yasmin [1 ]
Ismail, Nasser S. M. [2 ]
McLean, Gary R. [3 ,4 ]
Hamdy, Nadia M. [5 ]
机构
[1] Helwan Univ, Fac Pharm, Pharmaceut Dept, Cairo, Egypt
[2] Future Univ Egypt, Fac Pharmaceut Sci & Pharmaceut Ind, Pharmaceut Chem Dept, Cairo 12311, Egypt
[3] London Metropolitan Univ, Cellular & Mol Immunol Res Ctr, 166-220 Holloway Rd, London N7 8DB, England
[4] Imperial Coll London, Natl Heart & Lung Inst, Norfolk Pl, London W2 1PG, England
[5] Ain Shams Univ, Fac Pharm, Biochem Dept, Cairo 11566, Egypt
关键词
Iron oxide nanoparticles (IONPs); Covid-19; Repurposing medication; Molecular docking; Sars-CoV-2; Hcv glycoproteins E1 and E2; Reactive oxygen species (ROS); HEPATITIS-C VIRUS; INFLUENZA-VIRUS; CORONAVIRUSES; INACTIVATION; INHIBITION;
D O I
10.1016/j.ejps.2020.105465
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
COVID-19, is a disease resulting from the SARS-CoV-2 global pandemic. Due to the current global emergency and the length of time required to develop specific antiviral agent(s) and a vaccine for SARS-CoV-2, the world health organization (WHO) adopted the strategy of repurposing existing medications to treat COVID-19. Iron oxide nanoparticles (IONPs) were previously approved by the US food and drug administration (FDA) for anemia treatment and studies have also demonstrated its antiviral activity in vitro. Therefore, we performed a docking study to explore the interaction of IONPs (Fe2O3 and Fe3O4) with the spike protein receptor binding domain (S1-RBD) of SARS-CoV-2 that is required for virus attachment to the host cell receptors. A similar docking analysis was also performed with hepatitis C virus (HCV) glycoproteins E1 and E2. These studies revealed that both Fe2O3 and Fe3O4 interacted efficiently with the SARS-CoV-2 Sl-RBD and to HCV glycoproteins, E1 and E2. Fe3O4 formed a more stable complex with Sl-RBD whereas Fe2O3 favored HCV E1 and E2. These interactions of IONPs are expected to be associated with viral proteins conformational changes and hence, viral inactivation. Therefore, we recommend FDA-approved-IONPs to proceed for COVID-19 treatment clinical trials.
引用
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页数:7
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