The Inhibitory Potential of Ferulic Acid Derivatives against the SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics, and ADMET Evaluation.

ADMET Mpro SARS-CoV-2 enzyme inhibition ferulic acid molecular docking molecular dynamics

Journal

Biomedicines
ISSN: 2227-9059
Titre abrégé: Biomedicines
Pays: Switzerland
ID NLM: 101691304

Informations de publication

Date de publication:
25 Jul 2022
Historique:
received: 15 06 2022
revised: 19 07 2022
accepted: 21 07 2022
entrez: 27 7 2022
pubmed: 28 7 2022
medline: 28 7 2022
Statut: epublish

Résumé

The main protease (M

Identifiants

pubmed: 35892687
pii: biomedicines10081787
doi: 10.3390/biomedicines10081787
pmc: PMC9329733
pii:
doi:

Types de publication

Journal Article

Langues

eng

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Auteurs

Io Antonopoulou (I)

Biochemical Process Engineering, Division of Chemical Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, SE-97187 Luleå, Sweden.

Eleftheria Sapountzaki (E)

Biochemical Process Engineering, Division of Chemical Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, SE-97187 Luleå, Sweden.

Ulrika Rova (U)

Biochemical Process Engineering, Division of Chemical Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, SE-97187 Luleå, Sweden.

Paul Christakopoulos (P)

Biochemical Process Engineering, Division of Chemical Engineering, Department of Civil, Environmental and Natural Resources Engineering, Luleå University of Technology, SE-97187 Luleå, Sweden.

Classifications MeSH