Non-Extensive Fragmentation of Natural Products and Pharmacophore-Based Virtual Screening as a Practical Approach to Identify Novel Promising Chemical Scaffolds.

Vásquez, Andrés Felipe; Muñoz, Alejandro Reyes; Duitama, Jorge; González Barrios, Andrés

Vásquez, Andrés Felipe; Muñoz, Alejandro Reyes; Duitama, Jorge; González Barrios, Andrés.

Afiliação

Vásquez AF; Grupo de Diseño de Productos y Procesos (GDPP), Department of Chemical Engineering, Universidad de Los Andes, Bogotá, Colombia.
Muñoz AR; Naturalius S.A.S, Bogotá, Colombia.
Duitama J; Grupo de Biología Computacional y Ecología Microbiana (BCEM), Department of Biological Sciences, Universidad de Los Andes, Bogotá, Colombia.
González Barrios A; Max Planck Tandem Group in Computational Biology, Universidad de Los Andes, Bogotá, Colombia.

Front Chem ; 9: 700802, 2021.

Article em En | MEDLINE | ID: mdl-34422762

Palavras-chave

RECAP; fragment library generation; fragment-based drug discovery; pharmacophore modeling; property-based design; protein-ligand interactions; virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Front Chem Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Colômbia País de publicação: Suíça

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