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Conceção e modelação baseadas na estrutura para antiepilépticos de próxima geração

Conceção e modelação baseadas na estrutura para antiepilépticos de próxima geração

Jainendra Jain / Lalit Mohan Nainwal / Poonam Arora

71,90 €
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Editorial:
KS OmniScriptum Publishing
Año de edición:
2026
Materia
Empresa y gestión
ISBN:
9786630221572
71,90 €
IVA incluido
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Sobre IBD

Este volume está estruturado de forma a orientar o leitor através dos fundamentos teóricos do acoplamento molecular e do QSAR 3D, seguidos de estudos de caso detalhados sobre hidrazonas de ácidos arílicos substituídos. É dada ênfase ao poder preditivo dos modelos computacionais, apoiado por uma validação estatística robusta, com o objetivo de agilizar o processo de descoberta de fármacos e reduzir a dependência de triagens experimentais extensivas. O objetivo final é colmatar a lacuna entre a química computacional e a química medicinal, promovendo uma abordagem racional ao desenvolvimento de agentes anticonvulsivos de próxima geração.A justificação para o foco nos substituintes halogénicos decorre da sua influência bem documentada nas propriedades moleculares, incluindo a lipofilicidade, a distribuição eletrónica e a afinidade de ligação a alvos biológicos. Estas descobertas não só aprofundam a nossa compreensão dos determinantes moleculares da ação anticonvulsiva, como também orientam a conceção de candidatos mais potentes e seletivos para síntese e avaliação biológica.

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