In silicoanalysis of protein/peptide-based inhalers against SARS-CoV-2

被引：3
|
作者：
Salman, Saad [1 ]
Shah, Fahad Hassan [2 ]
Chaudhry, Maham [1 ]
Tariq, Muniba [3 ]
Akbar, Muhammad Yasir [4 ]
Adnan, Muhammad [1 ]
机构：
[1] Univ Lahore, Dept Pharm, Islamabad Campus, Islamabad 44000, Federal, Pakistan
[2] Univ Peshawar, Ctr Biotechnol & Microbiol, Khyber Pakhtunkhwa, Pakistan
[3] Univ Lahore, Diet & Nutr Sci, Islamabad Campus, Islamabad 44000, Federal, Pakistan
[4] Quaid i Azam Univ, Dept Bioinformat, Islamabad 44000, Federal, Pakistan
来源：
FUTURE VIROLOGY | 2020年 / 15卷 / 09期
关键词：
COVID-19; dornase-alfa; inhalers; monoclonal antibody; short-palate-lung and nasal-epithelial clone-1-derived peptides; DELIVERY; LUNG;
D O I：
10.2217/fvl-2020-0119
中图分类号：
Q93 [微生物学];
学科分类号：
071005 ; 100705 ;
摘要：
Aim:Peptide/protein-based inhalers are excessively used to treat respiratory disorders. The molecular docking was performed for these inhalers including human neutralizing S230 light chain-antibody (monoclonal antibodies [mAbs]), alpha-1-antitrypsin (AAT), short-palate-lung and nasal-epithelial clone-1-derived peptides (SPLUNC1) and dornase-alfa (DA) against spike glycoprotein of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) to assess their inhibitory activity.Materials & methods:HawkDock was used to dock these biologics against SARS-CoV-2 spike-glycoprotein.Results:Results showed that DA, AAT and mAb were quite active against spike glycoprotein with a binding free energy of -26.35 and -22.94 kcal/mol.Conclusion:mAB and AAT combined with DA can be used in the treatment of coronavirus disease of 2019 as a potential anti-SARS-CoV-2 agent.
引用
收藏
页码：557 / 564
页数：8
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