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

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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Theoretical Study of Stability, Tautomerism, Equilibrium Constants (pKT) of 2-Thiouracil in Gas Phase and Different Solvents (Water and Acetonitrile) by the Density Functional Theory Method

American Chemical Science Journal ◽

10.9734/acsj/2013/2905 ◽

2013 ◽

Vol 3 (2) ◽

pp. 137-150 ◽

Cited By ~ 8

Author(s):

N. Babu

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Density Functional ◽

Theoretical Study ◽

Equilibrium Constants ◽

Density Functional Theory Method ◽

Theory Method ◽

Functional Theory ◽

The Density Functional Theory

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Study of the effect of the solvent nature on cis-trans isomerization in Bis(allyl)nickel by the density functional theory method

Russian Journal of Inorganic Chemistry ◽

10.1134/s003602361312019x ◽

2013 ◽

Vol 58 (12) ◽

pp. 1506-1510 ◽

Cited By ~ 1

Author(s):

R. S. Shamsiev ◽

A. V. Drobyshev

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Method ◽

Theory Method ◽

Functional Theory ◽

Solvent Nature ◽

Trans Isomerization ◽

The Density Functional Theory

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The computation parameters optimizations for electronic structure calculation of LiPbl3 perovskite by the density functional theory method

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/434/1/012026 ◽

2018 ◽

Vol 434 ◽

pp. 012026

Author(s):

P Pitriana ◽

T D K Wungu ◽

H Herman ◽

R Hidayat

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Method ◽

Structure Calculation ◽

Electronic Structure Calculation ◽

Theory Method ◽

Functional Theory ◽

The Density Functional Theory

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Quantum chemical calculation of the molecular structures of (666)macrotricyclic chelates of 3D elements in the M(II)-propanedithioamide-formaldehyde systems by the density functional theory method

Russian Journal of Inorganic Chemistry ◽

10.1134/s003602361411014x ◽

2014 ◽

Vol 59 (11) ◽

pp. 1283-1289 ◽

Cited By ~ 5

Author(s):

O. V. Mikhailov ◽

D. V. Chachkov

Keyword(s):

Density Functional Theory ◽

Quantum Chemical ◽

Density Functional ◽

Density Functional Theory Method ◽

Molecular Structures ◽

Chemical Calculation ◽

Theory Method ◽

Functional Theory ◽

The Density Functional Theory ◽

3D Elements

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An Analysis on the Properties of Designed High-Strength Ti Alloys Using the Density Functional Theory Method

Korean Journal of Metals and Materials ◽

10.3365/kjmm.2013.51.7.461 ◽

2013 ◽

Vol 51 (7) ◽

pp. 461-466 ◽

Cited By ~ 3

Author(s):

Min-Sook Baek ◽

Dong-Joo Yoon ◽

Ki-Bin Kim ◽

Young-Jun Kim ◽

Byung Il Kim

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Method ◽

High Strength ◽

Theory Method ◽

Functional Theory ◽

Ti Alloys ◽

The Density Functional Theory

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Computational insights into the photophysical and electroluminescence properties of homoleptic fac-Ir(C^N)3 complexes employing different phenyl-derivative-featuring phenylimidazole-based ligands for promising phosphors in OLEDs

Dalton Transactions ◽

10.1039/c5dt04209g ◽

2016 ◽

Vol 45 (7) ◽

pp. 3034-3047 ◽

Cited By ~ 6

Author(s):

Jieqiong Li ◽

Li Wang ◽

Kenan Sun ◽

Jinglai Zhang

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Density Functional ◽

Photophysical Properties ◽

Density Functional Theory Method ◽

Theory Method ◽

Functional Theory ◽

Phenyl Derivative ◽

The Density Functional Theory

The electronic structures and photophysical properties of three homoleptic iridium(iii) complexes IrL3 with C^N ligands are investigated by means of the density functional theory method.

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DECOMPOSITION OF SiH4 ON THE SA TYPE STEPPED Si(100) SURFACE

Surface Review and Letters ◽

10.1142/s0218625x02003901 ◽

2002 ◽

Vol 09 (03n04) ◽

pp. 1401-1407 ◽

Cited By ~ 3

Author(s):

ŞENAY KATIRCIOĞlu ◽

ŞAKIR ERKOÇ

Keyword(s):

Density Functional Theory ◽

Hydrogen Atom ◽

Density Functional ◽

Reaction Path ◽

Density Functional Theory Method ◽

Dissociative Adsorption ◽

Theory Method ◽

Functional Theory ◽

Initial Stage ◽

The Density Functional Theory

The density functional theory method is used to explore the mechanism of dissociative adsorption of silane (SiH4) on the SA type stepped Si(100) surface. Two reaction paths are described that produce silyl (SiH3) and hydrogen atom fragments adsorbed on the dimer bonds present on each terrace. It has been found that the initial stage of the dissociation of SiH4 on the SA type stepped Si(100) surface shows similarity to the dissociation of SiH4 on the flat Si(100) surface; SiH3 and hydrogen fragments bond to the Si dimer atoms by following the first reaction path.

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