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Drug Res (Stuttg) 2022; 72(01): 34-40
DOI: 10.1055/a-1585-1323
Original Article

Can the Antivirals Remdesivir and Favipiravir Work Better Jointly? In Silico Insights

Cemal Parlak
1   Department of Physics, Science Faculty, Ege University, Izmir, Turkey
,
Özgür Alver
2   Department of Physics, Science Faculty, Eskisehir Technical University, Eskisehir, Turkey
,
Cecil N.M. Ouma
3   HySA-Infrastructure CoC, North-West University, Faculty of Engineering, Potchefstroom, South Africa
,
Lydia Rhyman
4   Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, Mauritius
5   Centre for Natural Product Research, Department of Chemical Sciences, University of Johannesburg, Doornfontein Campus, Johannesburg, South Africa
,
Ponnadurai Ramasami
4   Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, Mauritius
5   Centre for Natural Product Research, Department of Chemical Sciences, University of Johannesburg, Doornfontein Campus, Johannesburg, South Africa
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Abstract

The proverb “Old is gold” is applicable in drug discovery and the proverb “All that Glitters is not Gold” is also appropriate. In the COVID-19 era, there has been a race for drugs to be effective against SARS-CoV-2. There are reports about the uses of Remdesivir and Favipiravir as existing antivirals against virus but none have been conclusive so far. In the attempts for innovations, the combination of drugs is also under trials. Therefore, we used the density functional theory method and quantum theory of atoms in molecules to investigate drug-drug interactions involving Remdesivir and Favipiravir. The computed parameters were related to the antiviral actions of both drugs together. The results indicate enhanced antiviral activity and it will be worthy to consider additional investigations with the combination of these two drugs.

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Key words

Remdesivir - Favipiravir - Drug–drug interaction - DFT - QTAIM

Supplementary Material



Publication History

Received: 23 April 2021
Received: 26 July 2021

Accepted: 01 August 2021

Article published online:
17 September 2021

© 2021. Thieme. All rights reserved.

Georg Thieme Verlag
Rüdigerstraße 14, 70469 Stuttgart, Germany

 

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