3D-QSAR assisted identification of FABP4 inhibitors: An effective scaffold hopping analysis/QSAR evaluation.

Floresta, Giuseppe; Cilibrizzi, Agostino; Abbate, Vincenzo; Spampinato, Ambra; Zagni, Chiara; Rescifina, Antonio

Floresta, Giuseppe; Cilibrizzi, Agostino; Abbate, Vincenzo; Spampinato, Ambra; Zagni, Chiara; Rescifina, Antonio.

Afiliación

Floresta G; Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy; Department of Chemical Sciences, University of Catania, V.le A. Doria, 95125 Catania, Italy; Institute of Pharmaceutical Science, King's College London, Stamford Street, London SE1 9NH, UK. Electronic address:
Cilibrizzi A; Institute of Pharmaceutical Science, King's College London, Stamford Street, London SE1 9NH, UK; King's Forensics, School of Population Health & Environmental Sciences, King's College London, Franklin-Wilkins Building, 150 Stamford Street, London SE1 9NH, UK.
Abbate V; King's Forensics, School of Population Health & Environmental Sciences, King's College London, Franklin-Wilkins Building, 150 Stamford Street, London SE1 9NH, UK.
Spampinato A; Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy.
Zagni C; Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy.
Rescifina A; Department of Drug Sciences, University of Catania, V.le A. Doria 6, 95125 Catania, Italy. Electronic address: arescifina@unict.it.

Bioorg Chem ; 84: 276-284, 2019 03.

Article en En | MEDLINE | ID: mdl-30529845

Asunto(s)

Proteínas de Unión a Ácidos Grasos/antagonistas & inhibidores; Relación Estructura-Actividad Cuantitativa; Proteínas de Unión a Ácidos Grasos/metabolismo; Humanos; Hipoglucemiantes/síntesis química; Hipoglucemiantes/química; Hipoglucemiantes/metabolismo; Imidazoles/síntesis química; Imidazoles/química; Imidazoles/metabolismo; Modelos Moleculares; Pirazoles/síntesis química; Pirazoles/química; Pirazoles/metabolismo; Tiofenos/síntesis química; Tiofenos/química; Tiofenos/metabolismo

Palabras clave

3D-QSAR; A-FABP; BMS309403 analogs; FABP4 inhibitors; Forge and Spark software; Scaffold-hopping; Thiazole; Triazole; aP2

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Relación Estructura-Actividad Cuantitativa / Proteínas de Unión a Ácidos Grasos Tipo de estudio: Diagnostic_studies / Prognostic_studies Límite: Humans Idioma: En Revista: Bioorg Chem Año: 2019 Tipo del documento: Article Pais de publicación: Estados Unidos

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