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    ARTICLE

    Prediction of Proteins Associated with COVID-19 Based Ligand Designing and Molecular Modeling

    Majid Monajjemi1,*, Rahim Esmkhani2, Fatemeh Mollaamin1, Sara Shahriari3

    CMES-Computer Modeling in Engineering & Sciences, Vol.125, No.3, pp. 907-926, 2020, DOI:10.32604/cmes.2020.012846

    Abstract Current understanding about how the virus that causes COVID-19 spreads is largely based on what is known about similar coronaviruses. Some of the Natural products are suitable drugs against SARS-CoV-2 main protease. For recognizing a strong inhibitor, we have accomplished docking studies on the major virus protease with 4 natural product species as anti COVID-19 (SARS-CoV-2), namely “Vidarabine”, “Cytarabine”, “Gemcitabine” and “Matrine” which have been extracted from Gillan’s leaves plants. These are known as Chuchaq, Trshvash, Cote-Couto and Khlvash in Iran. Among these four studied compounds, Cytarabine appears as a suitable compound with high effectiveness inhibitors to this protease. Finally… More >

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