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ORIGINAL ARTICLE
Year : 2021  |  Volume : 16  |  Issue : 3  |  Page : 315-325

Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies


1 Department of Systems Biotechnology, Institute of Industrial and Environmental Biotechnology, National Institute of Genetic Engineering and Biotechnology (NIGEB), Tehran, I.R. Iran
2 Diabetes Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, I.R. Iran
3 Department of Animal Biotechnology, National Institute of Genetic Engineering and Biotechnology, Tehran, I.R. Iran
4 Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, I.R. Iran
5 Medical Genetics Department, National Institute of Genetic Engineering and Biotechnology, Tehran, I.R. Iran
6 Diabetes Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences; National Research Centre for Transgenic Mouse, National Institute of Genetic Engineering and Biotechnology, Tehran, I.R. Iran

Correspondence Address:
Ehsan Hashemi
Diabetes Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences; National Research Centre for Transgenic Mouse, National Institute of Genetic Engineering and Biotechnology, Tehran
I.R. Iran
Mohammad Hossein Sanati
Medical Genetics Department, National Institute of Genetic Engineering and Biotechnology, Tehran
I.R. Iran
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Source of Support: None, Conflict of Interest: None


DOI: 10.4103/1735-5362.314830

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Background and purpose: The new coronavirus (Covid-19) has resulted in great global concerns. Due to the mortality of this virus, scientists from all over the world have been trying to employ different strategies to tackle down this concern. This virus enters cells via phagocytosis through binding to the angiotensin-converting enzyme II receptor. After invading the body, it can stay hidden in there for a period of up to 24 days (incubation period). Experimental approach: In this report, by the use of in silico studies we selected several FDA-approved compounds that possess antiviral properties. We chose the viral Spike protein as the target of drug compounds and carried out the screening process for the FDA databank in order to find the most effective ligand. Findings/Results: The results from dock and MD revealed 10 compounds with high affinity to the receptor-binding domain motif of S protein. The best inhibitors were the ingredients of Depinar, which managed to effectively block the interactions between cells and virus. Conclusion and implication: The results of this study were approved by in silico studies and due to the lack of time; we did not test the efficiency of these compounds through in vitro and in vivo studies. However, the selected compounds are all FDA approved and some are supplements like vitamin B12 and don’t cause any side effects for patients.


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