Interaction between favipiravir and hydroxychloroquine and their combined drug assessment: in silico investigations

Parlak, Cemal; Alver, Özgür; Ouma, Cecil Naphtaly Moro; Rhyman, Lydia; Ramasami, Ponnadurai

doi:10.1007/s11696-021-01946-8

Cited by 17 publications

(4 citation statements)

References 46 publications

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“…It is not commercially available in the US. There are apparent drug interactions with this combination, although data are limited as favipiravir is not available [64][65][66][67]. • Hydroxychloroquine (antimalarial) and chloroquine (antimalarial) are not possible to combine.…”

Section: Resultsmentioning

confidence: 99%

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COVID-19 Drug Repurposing: A Network-Based Framework for Exploring Biomedical Literature and Clinical Trials for Possible Treatments

Hamed

Fandy

Tkaczuk³

et al. 2022

Pharmaceutics

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Background: With the Coronavirus becoming a new reality of our world, global efforts continue to seek answers to many questions regarding the spread, variants, vaccinations, and medications. Particularly, with the emergence of several strains (e.g., Delta, Omicron), vaccines will need further development to offer complete protection against the new variants. It is critical to identify antiviral treatments while the development of vaccines continues. In this regard, the repurposing of already FDA-approved drugs remains a major effort. In this paper, we investigate the hypothesis that a combination of FDA-approved drugs may be considered as a candidate for COVID-19 treatment if (1) there exists an evidence in the COVID-19 biomedical literature that suggests such a combination, and (2) there is match in the clinical trials space that validates this drug combination. Methods: We present a computational framework that is designed for detecting drug combinations, using the following components (a) a Text-mining module: to extract drug names from the abstract section of the biomedical publications and the intervention/treatment sections of clinical trial records. (b) a network model constructed from the drug names and their associations, (c) a clique similarity algorithm to identify candidate drug treatments. Result and Conclusions: Our framework has identified treatments in the form of two, three, or four drug combinations (e.g., hydroxychloroquine, doxycycline, and azithromycin). The identifications of the various treatment candidates provided sufficient evidence that supports the trustworthiness of our hypothesis.

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Section: Resultsmentioning

confidence: 99%

“…It is not commercially available in the US. There are apparent drug interactions with this combination, although data are limited as favipiravir is not available [ 64 , 65 , 66 , 67 ].…”

Section: Discussionmentioning

confidence: 99%

COVID-19 Drug Repurposing: A Network-Based Framework for Exploring Biomedical Literature and Clinical Trials for Possible Treatments

Hamed

Fandy

Tkaczuk³

et al. 2022

Pharmaceutics

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“… Alsafi et al, 2020 , Conterno et al, 2020 , Cosar et al, 2022 , Daina et al, 2017 , DeLano, 2004 , Donnelly and Patrinos, 2021 , Eastman et al, 2020 , El-Enany et al, 2019 , El-Enany et al, 2021 , Eweiss and Osman, 1980 , Frisch et al, 2009 , Gallo Marin et al, 2021 , Gao et al, 2020 , Gomha et al, 2018 , Gomha et al, 2016 , Gomha et al, 2015 , Hospital et al, 2015 , Jiang et al, 2021 , Jin et al, 2020 , Khoramil and Shaterian, 2015 , Kumar et al, 2018 , Labib et al, 2018 , Mahmoud et al, 2021 , Mahmoud et al, 2019 , Muratore and Komai, 2020 , Ottesen and Campbell, 1994 , Parlak et al, 2022 , Picarazzi et al, 2020 , Poustforoosh et al, 2021 , Pu et al, 2020 , Raies and Bajic, 2016 , Rim, 2020 , Rubin et al, 2020 , Senkardes et al, 2021 , Shah et al, 2020 , Shah and Bhaliya, 2020 , Shawali and Abdelhamid, 1971 , Singh and Quraishi, 2010 , Skariyachan et al, 2020 , Trott and Olson, 2009 , van Gunsteren and Karplus, 1982 , Wallace et al, 1995 , Williamson and Williams, 1984 , Zare et al, 2016 , Zia et al, 2021 , Zhang et al, 2014 , Zhang et al, 2020 .…”

Section: Uncited Referencesmentioning

confidence: 99%

Synthesis and greener pastures biological study of bis-thiadiazoles as potential Covid-19 drug candidates

Said

Riyadh

Al-Kaff

et al. 2022

Arabian Journal of Chemistry

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“…SwissADME was used to predict the possibility of using ligands 3a-f as drugs by evaluating physicochemical properties, drug-likeness, and pharmacokinetics [39][40][41]. The same analysis was also carried out for Molnupiravir and Remdesivir.…”

Section: Drug Likeness Evaluationmentioning

confidence: 99%

Potential COVID-19 Drug Candidates Based on Diazinyl-Thiazol-Imine Moieties: Synthesis and Greener Pastures Biological Study

et al. 2022

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A novel series of 1-aryl-N-[4-phenyl-5-(arylazo)thiazol-2-yl)methanimines has been synthesized via the condensation of 2-amino-4-phenyl-5-arylazothiazole with various aromatic aldehydes. The synthesized imines were characterized by spectroscopic techniques, namely 1H and 13C NMR, FTIR, MS, and Elemental Analysis. A molecular comparative docking study for 3a–f was calculated, with reference to two approved drugs, Molnupiravir and Remdesivir, using 7BQY (Mpro; PDB code 7BQY; resolution: 1.7 A°) under identical conditions. The binding scores against 7BQY were in the range of −7.7 to −8.7 kcal/mol for 3a–f. The high scores of the compounds indicated an enhanced binding affinity of the molecules to the receptor. This is due to the hydrophobic interactions and multi-hydrogen bonds between 3a–f ligands and the receptor’s active amino acid residues. The main aim of using in silco molecular docking was to rank 3a–f with respect to the approved drugs, Molnupiravir and Remdesivir, using free energy methods as greener pastures. A further interesting comparison presented the laydown of the ligands before and after molecular docking. These results and other supporting statistical analyses suggested that ligands 3a–f deserve further investigation in the context of potential therapeutic agents for COVID-19. Free-cost, PASS, SwissADME, and Way2drug were used in this research paper to determine the possible biological activities and cytotoxicity of 3a–f.

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Interaction between favipiravir and hydroxychloroquine and their combined drug assessment: in silico investigations

Cited by 17 publications

References 46 publications

COVID-19 Drug Repurposing: A Network-Based Framework for Exploring Biomedical Literature and Clinical Trials for Possible Treatments

COVID-19 Drug Repurposing: A Network-Based Framework for Exploring Biomedical Literature and Clinical Trials for Possible Treatments

Synthesis and greener pastures biological study of bis-thiadiazoles as potential Covid-19 drug candidates

Potential COVID-19 Drug Candidates Based on Diazinyl-Thiazol-Imine Moieties: Synthesis and Greener Pastures Biological Study

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