Evaluating cepharanthine analogues as natural drugs against SARS-CoV-2.
FEBS Open Bio
; 12(1): 285-294, 2022 01.
Article
em En
| MEDLINE
| ID: mdl-34850606
ABSTRACT
Cepharanthine (CEP) is a natural biscoclaurine alkaloid of plant origin and was recently demonstrated to have anti-severe acute respiratory syndrome coronavirus 2 (anti-SARS-CoV-2) activity. In this study, we evaluated whether natural analogues of CEP may act as potential anti-coronavirus disease 2019 drugs. A total of 24 compounds resembling CEP were extracted from the KNApSAcK database, and their binding affinities to target proteins, including the spike protein and main protease of SARS-CoV-2, NPC1 and TPC2 in humans, were predicted via molecular docking simulations. Selected analogues were further evaluated by a cell-based SARS-CoV-2 infection assay. In addition, the efficacies of CEP and its analogue tetrandrine were assessed. A comparison of the docking conformations of these compounds suggested that the diphenyl ester moiety of the molecules was a putative pharmacophore of the CEP analogues.
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Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Antivirais
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Preparações de Plantas
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Benzilisoquinolinas
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SARS-CoV-2
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COVID-19
Limite:
Animals
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Humans
Idioma:
En
Revista:
FEBS Open Bio
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Japão