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Molecular docking studies, molecular dynamics and ADME/tox reveal therapeutic potentials of STOCK1N-69160 against papain-like protease of SARS-CoV-2.
Elekofehinti, Olusola Olalekan; Iwaloye, Opeyemi; Josiah, Sunday Solomon; Lawal, Akeem Olalekan; Akinjiyan, Moses Orimoloye; Ariyo, Esther Opeyemi.
Affiliation
  • Elekofehinti OO; Bioinformatics and Molecular Biology Unit, Department of Biochemistry, Federal University of Technology Akure, Ondo, Nigeria. ooelekofehinti@futa.edu.ng.
  • Iwaloye O; Bioinformatics and Molecular Biology Unit, Department of Biochemistry, Federal University of Technology Akure, Ondo, Nigeria.
  • Josiah SS; Phytomedicine Biochemical Pharmacology and Toxicology Unit, Department of Biochemistry, Federal University of Technology Akure, Ondo, Nigeria.
  • Lawal AO; Bioinformatics and Molecular Biology Unit, Department of Biochemistry, Federal University of Technology Akure, Ondo, Nigeria.
  • Akinjiyan MO; Bioinformatics and Molecular Biology Unit, Department of Biochemistry, Federal University of Technology Akure, Ondo, Nigeria.
  • Ariyo EO; Bioinformatics and Molecular Biology Unit, Department of Biochemistry, Federal University of Technology Akure, Ondo, Nigeria.
Mol Divers ; 25(3): 1761-1773, 2021 Aug.
Article in En | MEDLINE | ID: mdl-33201386
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Propionates / Molecular Dynamics Simulation / Molecular Docking Simulation / Absorption, Physicochemical / Coronavirus Papain-Like Proteases / SARS-CoV-2 Type of study: Prognostic_studies Language: En Journal: Mol Divers Journal subject: BIOLOGIA MOLECULAR Year: 2021 Document type: Article Affiliation country: Nigeria Country of publication: Netherlands
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Propionates / Molecular Dynamics Simulation / Molecular Docking Simulation / Absorption, Physicochemical / Coronavirus Papain-Like Proteases / SARS-CoV-2 Type of study: Prognostic_studies Language: En Journal: Mol Divers Journal subject: BIOLOGIA MOLECULAR Year: 2021 Document type: Article Affiliation country: Nigeria Country of publication: Netherlands