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

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

Informatics in Medicine Unlocked (Jan 2021)

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

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

Affiliations

Draško Tomić: Center for Informatics and Computing, Ruđer Bošković Institute, Zagreb, Croatia; Corresponding author. Ruđer Bošković Institute, Bijenička cesta 54, 10000, Zagreb, Croatia.
Davor Davidović: Center for Informatics and Computing, Ruđer Bošković Institute, Zagreb, Croatia
Attila Marcel Szasz: Department of Tumor Biology, National Koranyi Institute of Pulmonology, Korányi Frigyes út 1, Budapest, H-1121, Hungary
Melinda Rezeli: Department of Biomedical Engineering, Lund University, Lund, Sweden
Boris Pirkić: Surgery, Orthopedics and Ophthalmology Clinic, Faculty of Veterinary Medicine, University of Zagreb, Zagreb, Croatia
Jozsef Petrik: Department of Medical Biochemistry and Hematology, Faculty of Pharmacy and Biochemistry, University of Zagreb, Zagreb, Croatia
Vesna Bačić Vrca: Central Hospital Pharmacy, Clinical Hospital Center Dubrava, Zagreb, Croatia
Vladimir Janđel: Department of Obstetrics, University Hospital Centre Zagreb, Zagreb, Croatia
Tomislav Lipić: Machine Learning Lab and Knowledge Representations, Ruđer Bošković Institute, Zagreb, Croatia
Karolj Skala: Center for Informatics and Computing, Ruđer Bošković Institute, Zagreb, Croatia
Josip Mesarić: Faculty of Electrical Engineering and Computing, University of Zagreb, Zagreb, Croatia
Marija Milković Periša: Institute of Pathology, School of Medicine University of Zagreb, Zagreb, Croatia
Zorislav Šojat: Center for Informatics and Computing, Ruđer Bošković Institute, Zagreb, Croatia
Branka Medved Rogina: Center for Informatics and Computing, Ruđer Bošković Institute, Zagreb, Croatia

Journal volume & issue: Vol. 23
p. 100529

Abstract

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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.

Published in Informatics in Medicine Unlocked

ISSN: 2352-9148 (Online)
Publisher: Elsevier
Country of publisher: United Kingdom
LCC subjects: Medicine: Medicine (General): Computer applications to medicine. Medical informatics
Website: https://www.journals.elsevier.com/informatics-in-medicine-unlocked/

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