Homology modeling, docking and molecular dynamics studies of some secondary metabolites of actinomycetes as biocontrol agents against the 3HNR enzyme of the phytopathogenic fungus <i>Alternaria alternata</i>.

Mansouri, Nedjwa; Benslama, Ouided; Arhab, Rabah

Homology modeling, docking and molecular dynamics studies of some secondary metabolites of actinomycetes as biocontrol agents against the 3HNR enzyme of the phytopathogenic fungus Alternaria alternata.

Mansouri, Nedjwa; Benslama, Ouided; Arhab, Rabah.

Afiliação

Mansouri N; Laboratory of Natural Substances, Biomolecules and Biotechnological Applications, Department of Natural and Life Sciences, Larbi Ben M'Hidi University, Oum El Bouaghi, Algeria.
Benslama O; Laboratory of Natural Substances, Biomolecules and Biotechnological Applications, Department of Natural and Life Sciences, Larbi Ben M'Hidi University, Oum El Bouaghi, Algeria.
Arhab R; Laboratory of Natural Substances, Biomolecules and Biotechnological Applications, Department of Natural and Life Sciences, Larbi Ben M'Hidi University, Oum El Bouaghi, Algeria.

J Biomol Struct Dyn ; 41(3): 871-883, 2023 02.

Article em En | MEDLINE | ID: mdl-34895071

Assuntos

Actinobacteria; Simulação de Dinâmica Molecular; Alternaria; Antifúngicos/farmacologia; Simulação de Acoplamento Molecular; Actinomyces

Palavras-chave

1,3,8-trihydroxynaphthalene reductase; ADMET; Alternaria alternata; Biocontrol; MD simulation; antifungal; docking; homology modeling

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Actinobacteria / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

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XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Actinobacteria / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2023 Tipo de documento: Article