In Silico Studies of Lamiaceae Diterpenes with Bioinsecticide Potential against <i>Aphis gossypii</i> and <i>Drosophila melanogaster</i>.

Rodrigues, Gabriela Cristina Soares; Maia, Mayara Dos Santos; Cavalcanti, Andreza Barbosa Silva; Sousa, Natália Ferreira de; Scotti, Marcus Tullius; Scotti, Luciana

In Silico Studies of Lamiaceae Diterpenes with Bioinsecticide Potential against Aphis gossypii and Drosophila melanogaster.

Rodrigues, Gabriela Cristina Soares; Maia, Mayara Dos Santos; Cavalcanti, Andreza Barbosa Silva; Sousa, Natália Ferreira de; Scotti, Marcus Tullius; Scotti, Luciana.

Afiliación

Rodrigues GCS; Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa, PB 58051-900, Brazil.
Maia MDS; Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa, PB 58051-900, Brazil.
Cavalcanti ABS; Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa, PB 58051-900, Brazil.
Sousa NF; Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa, PB 58051-900, Brazil.
Scotti MT; Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa, PB 58051-900, Brazil.
Scotti L; Laboratory of Cheminformatics, Program of Natural and Synthetic Bioactive Products (PgPNSB), Health Sciences Center, Federal University of Paraíba, João Pessoa, PB 58051-900, Brazil.

Molecules ; 26(3)2021 Feb 02.

Article en En | MEDLINE | ID: mdl-33540716

Asunto(s)

Áfidos; Simulación por Computador; Diterpenos/química; Drosophila melanogaster; Insecticidas/química; Lamiaceae/química; Secuencia de Aminoácidos; Animales; Áfidos/metabolismo; Drosophila melanogaster/metabolismo; Humanos; Proteínas de Insectos/química; Proteínas de Insectos/metabolismo; Aprendizaje Automático; Modelos Moleculares; Conformación Proteica

Palabras clave

Lamiaceae; bioinsecticides; diterpenes; docking; machine learning; virtual screening

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Áfidos / Simulación por Computador / Lamiaceae / Diterpenos / Drosophila melanogaster / Insecticidas Tipo de estudio: Prognostic_studies Idioma: En Revista: Molecules Año: 2021 Tipo del documento: Article País de afiliación: Brasil

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