ArticleDaru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences2022
Design, synthesis and docking study of Vortioxetine derivatives as a SARS-CoV-2 main protease inhibitor.
Article in Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 11 citations in OpenAlex.
- In Silico Identification of Potential Inhibitors of the SARS-CoV-2 Main Protease among a PubChem Database of Avian Infectious Bronchitis Virus 3CLPro Inhibitors.Biomolecules · 2023Article
- Investigation of embelin synthetic hybrids as potential COVID-19 and COX inhibitors: Synthesis, spectral analysis, DFT calculations and molecular docking studies.Journal of molecular structure · 2023Article
- Antiviral activity of chrysin and naringenin against porcine epidemic diarrhea virus infection.Frontiers in veterinary science · 2023Article
- Corticosteroids: A boon or bane for COVID-19 patients?Steroids · 2022Review
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Authors and funding
6 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
purposeVortioxetine an anti-depressant FDA-drug recently reported showing better in vitro efficacy against SARS-CoV-2.
methodsIn this study, we have synthesized ten new derivatives having alkenes, alkynes, benzyl, aryl, and mixed carbamate at the N-terminal of vortioxetine. Then the binding energy and interactions with the crucial amino acid residues in the binding pocket of main protease (M
resultsBased on the docking scores predicted by ADV and AD, most vortioxetine derivatives showed better binding efficiency towards M
conclusionThis study shows that some vortioxetine derivatives can be developed into promising drugs for COVID-19 treatment.
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