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Combate ao cancro da mama

Combate ao cancro da mama

Abdelouahid Sbai / Etibaria Belghalia / Mohammed Bouachrine

91,04 €
IVA incluido
Disponible
Editorial:
KS OmniScriptum Publishing
Año de edición:
2025
Materia
Química
ISBN:
9786202341424
91,04 €
IVA incluido
Disponible

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Sobre IBD

Este livro explora a contribuição dos métodos computacionais na procura de terapias específicas para o cancro da mama. Centra-se em três receptores-chave: o recetor de estrogénio alfa (ERα), o recetor do fator de crescimento epidérmico humano 2 (HER2) e o recetor do fator de crescimento epidérmico (EGFR). Duas famílias químicas, os derivados de pirazol-benzimidazol e os análogos do baloxavir, foram avaliadas através de modelação QSAR, acoplamento molecular, previsões ADMET e simulações de dinâmica molecular. O primeiro estudo identificou dois compostos com forte afinidade de ligação e propriedades farmacocinéticas favoráveis. O segundo revelou vários derivados do Baloxavir com uma promissora atividade multialvo, incluindo um composto principal que apresenta interações estáveis com os três receptores. Estes resultados realçam o potencial das técnicas in silico na fase inicial da descoberta de medicamentos e fornecem uma base para uma maior validação biológica, apoiando o desenvolvimento de tratamentos mais eficazes e personalizados para o cancro da mama.

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