The screening and evaluation of potential clinically significant HIV drug combinations against the SARS-CoV-2 virus

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 Medved, Branka (2021) The screening and evaluation of potential clinically significant HIV drug combinations against the SARS-CoV-2 virus. Informatics in Medicine Unlocked, 23 . ISSN 2352-9148

Preview

PDF - Published Version - article
Available under License Creative Commons Attribution.
Download (3MB) | Preview

Official URL: https://www.sciencedirect.com/science/article/pii/...

Abstract

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 the 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 conditions is warranted.

Item Type:

Article

Uncontrolled Keywords:

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

Subjects:

TECHNICAL SCIENCES > Computing > Process Computing
BIOTECHNICAL SCIENCES > Biotechnology

Divisions:

Center for Informatics and Computing
Division of Electronics

Projects: