Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS-CoV-2 Delta (B.1.617.2) variant and the main protease (Mpro) as therapeutic candidates, using Molecular docking, DFT, and ADME/Tox studies.

Houchi, Selma; Messasma, Zakia

Exploring the inhibitory potential of Saussurea costus and Saussurea involucrata phytoconstituents against the Spike glycoprotein receptor binding domain of SARS-CoV-2 Delta (B.1.617.2) variant and the main protease (M_pro) as therapeutic candidates, using Molecular docking, DFT, and ADME/Tox studies.

Houchi, Selma; Messasma, Zakia.

Afiliação

Houchi S; Department of Biochemistry, Laboratory of Applied Biochemistry, Faculty of Life and Nature Sciences, University of Ferhat Abbas Setif-1, Algeria.
Messasma Z; Department of Process Engineering, Laboratory of Electrochemistry, Molecular Engineering and Redox Catalysis, Faculty of Technology, University of Ferhat Abbas Setif-1, 19000, Algeria.

J Mol Struct ; 1263: 133032, 2022 Sep 05.

Article em En | MEDLINE | ID: mdl-35431327

Palavras-chave

Mpro; SARS-CoV-2 Delta; Saussurea costus; Saussurea involucrate Molecular docking; Spike

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Mol Struct Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Argélia

Texto completo

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PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Mol Struct Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Argélia