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SIIA Público
SISTEMA INTEGRAL DE INFORMACIÓN ACADÉMICA - PÚBLICO
Título del libro: Advances In Qsar Modeling: Applications In Pharmaceutical, Chemical, Food, Agricultural And Environmental Sciences Título del capítulo: Quantitative Structure-Epigenetic Activity Relationships
Autores UNAM: JOSE LUIS MEDINA FRANCO;
Autores externos: Idioma: InglésAño de publicación: 2017Palabras clave:
The relevance of epigenetic drug discovery has increased during the past
few years as revealed by the augmenting number of related publications
and the amount of structure-epigenetic activity data in compound
databases. This chapter discusses the current status of epigenetic
target-based therapies. It is also analyzed the progress of quantitative
structure-activity relationship (QSAR) models developed for compound
databases screened with epigenetic targets. A special emphasis is made
on compounds directed to inhibitors of DNA methyltransferases, one of
the first epigenetic target families associated with therapeutic
potential. Novel approaches applied to develop models for inhibitors of
bromodomains, other epigenetic target families with high relevance in
modern drug discovery programs, are also discussed. The chapter analyses
epigenetic activity landscape modeling, activity cliffs, and activity
cliff generators and their relevance to develop QSAR models.
Computational methods applied to elucidate Quantitative
Structure-Epigenetic Activity Relationships are in line with the
increasing and developing research area of Epi-informatics.
