Classical QSAR and Docking Simulation of 4-Pyridone Derivatives for Their Antimalarial Activity

In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at Density Functional Theory level, and several quantum molecular, including electronic and thermodynamic descriptors, were computed for these substrates in order to obtain a statistical and meaningful QSAR...

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Detalles Bibliográficos
Autores principales: Flores-Sumoza, Máryury, Alcázar, Jackson J., Márquez, Edgar, Mora, José R., Lezama, Jesús, Puello, Esneyder
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6321536/
https://www.ncbi.nlm.nih.gov/pubmed/30513742
http://dx.doi.org/10.3390/molecules23123166

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6321536/
https://www.ncbi.nlm.nih.gov/pubmed/30513742
http://dx.doi.org/10.3390/molecules23123166

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