New Insights on the Activity and Selectivity of MAO-B Inhibitors through In Silico Methods

To facilitate the identification of novel MAO-B inhibitors, we elaborated a consolidated computational approach, including a pharmacophoric atom-based 3D quantitative structure–activity relationship (QSAR) model, activity cliffs, fingerprint, and molecular docking analysis on a dataset of 126 molecu...

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Detalles Bibliográficos
Autores principales: Pacureanu, Liliana, Bora, Alina, Crisan, Luminita
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10253494/
https://www.ncbi.nlm.nih.gov/pubmed/37298535
http://dx.doi.org/10.3390/ijms24119583

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10253494/
https://www.ncbi.nlm.nih.gov/pubmed/37298535
http://dx.doi.org/10.3390/ijms24119583

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