Computational Study on the Effect of Exocyclic Substituents on the Ionization Potential of Primaquine: Insights into the Design of Primaquine-Based Antimalarial Drugs with Less Methemoglobin Generation

[Image: see text] The effect of an exocyclic substituent on the ionization potential of primaquine, an important antimalarial drug, was investigated using density functional theory methods. It was found that an electron-donating group (EDG) makes the ionization potential decrease. In contrast, an el...

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Detalles Bibliográficos
Autores principales: Liu, Haining, Ding, Yuanqing, Walker, Larry A., Doerksen, Robert J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4332040/
https://www.ncbi.nlm.nih.gov/pubmed/25222923
http://dx.doi.org/10.1021/tx500230t

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