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In Informatics in medicine unlocked

Spike glycoprotein is essential for the reproduction of the SARS-CoV-2 virus, and its inhibition using already approved antiviral drugs may open new avenues for treatment of patients with the COVID-19 disease. Because of that we analyzed the inhibition of SARS-CoV-2 spike glycoprotein with FDA-approved antiviral drugs and their double and triple combinations. We used the Vini in silico model of cancer to perform this virtual drug screening, showing HIV drugs to be the most effective. Besides, the combination of cobicistat-abacavir-rilpivirine HIV drugs demonstrated the highest in silico efficacy of inhibiting SARS-CoV-2 spike glycoprotein. Therefore, a clinical trial of cobicistat-abacavir-rilpivirine on a limited number of COVID-19 patients in moderately severe and severe condition is warranted.

Tomić Draško, Davidović Davor, Szasz Attila Marcel, Rezeli Melinda, Pirkić Boris, Petrik Jozsef, Vrca Vesna Bačić, Janđel Vladimir, Lipić Tomislav, Skala Karolj, Mesarić Josip, Periša Marija Milković, Šojat Zorislav, Rogina Branka Medved

2021-Jan-30

Antiviral drugs, COVID-19, HIV cocktail therapy, Inhibition efficiency, SARS-CoV-2 spike glycoprotein, Virtual drug screening