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Infect Genet Evol . Eltrombopag Is a Potential Target for Drug Intervention in SARS-CoV-2 Spike Protein

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  • Infect Genet Evol . Eltrombopag Is a Potential Target for Drug Intervention in SARS-CoV-2 Spike Protein


    Infect Genet Evol


    . 2020 Jun 12;104419.
    doi: 10.1016/j.meegid.2020.104419. Online ahead of print.
    Eltrombopag Is a Potential Target for Drug Intervention in SARS-CoV-2 Spike Protein


    Siqin Feng 1 , Xiaodong Luan 2 , Yifei Wang 3 , Hui Wang 4 , Zhiyu Zhang 4 , Yiyang Wang 3 , Zhuang Tian 4 , Meixi Liu 4 , Ying Xiao 4 , Yong Zhao 5 , Ruilin Zhou 4 , Shuyang Zhang 6



    Affiliations

    Abstract

    The COVID-19 pandemic, caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), is a current global threat for which there is an urgent need to search for an effective therapy. The transmembrane spike (S) glycoprotein of SARS-CoV-2 directly binds to the host angiotensin-converting enzyme 2 (ACE2) and mediates viral entrance, which is therefore considered as a promising drug target. Considering that new drug development is a time-consuming process, drug repositioning may facilitate rapid drug discovery dealing with sudden infectious diseases. Here, we compared the differences between the virtual structural proteins of SARS-CoV-2 and SARS-CoV, and selected a pocket mainly localizing in the fusion cores of S2 domain for drug screening. A virtual drug design algorithm screened the Food and Drug Administration-approved drug library of 1234 compounds, and 13 top scored compounds were obtained through manual screening. Through in vitro molecular interaction experiments, eltrombopag was further verified to possess a high binding affinity to S protein plus human ACE2 and could potentially affect the stability of the ACE2-S protein complex. Hence, it is worth further exploring eltrombopag as a potential drug for the treatment of SARS-CoV-2 infection.

    Keywords: Homology Modeling; SARS-CoV-2; Surface plasmon resonance; Virtual drug design.

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