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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 LU orcid ; Pirkić, Boris ; Petrik, Jozsef ; Vrca, Vesna Bačić ; Janđel, Vladimir ; Lipić, Tomislav and Skala, Karolj , et al. (2021) In Informatics in medicine unlocked 23.
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 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... (More)

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.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Antiviral drugs, COVID-19, HIV cocktail Therapy, Inhibition efficiency, SARS-CoV-2 spike glycoprotein, Virtual drug screening
in
Informatics in medicine unlocked
volume
23
article number
100529
publisher
Elsevier
external identifiers
  • scopus:85103721514
  • pmid:33553571
ISSN
2352-9148
DOI
10.1016/j.imu.2021.100529
language
English
LU publication?
yes
id
4fc2c9ce-b2f5-451e-9f43-34abcb3520c9
date added to LUP
2021-12-23 11:53:48
date last changed
2024-04-20 18:17:02
@article{4fc2c9ce-b2f5-451e-9f43-34abcb3520c9,
  abstract     = {{<p>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.</p>}},
  author       = {{Tomić, Draško and Davidović, Davor and Szasz, Attila Marcel and Rezeli, Melinda and Pirkić, Boris and Petrik, Jozsef and Vrca, Vesna Bačić and Janđel, Vladimir and Lipić, Tomislav and Skala, Karolj and Mesarić, Josip and Periša, Marija Milković and Šojat, Zorislav and Rogina, Branka Medved}},
  issn         = {{2352-9148}},
  keywords     = {{Antiviral drugs; COVID-19; HIV cocktail Therapy; Inhibition efficiency; SARS-CoV-2 spike glycoprotein; Virtual drug screening}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Informatics in medicine unlocked}},
  title        = {{The screening and evaluation of potential clinically significant HIV drug combinations against the SARS-CoV-2 virus}},
  url          = {{http://dx.doi.org/10.1016/j.imu.2021.100529}},
  doi          = {{10.1016/j.imu.2021.100529}},
  volume       = {{23}},
  year         = {{2021}},
}