A SAR and QSAR Study of New Artemisinin Compounds with Antimalarial Activity

The Hartree-Fock method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with antimalarial activity. Maps of molecular electrostatic potential (MEPs) and molecular docking were used to investigate the interaction between ligands and the...

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Detalles Bibliográficos
Autores principales: Santos, Cleydson Breno R., Vieira, Josinete B., Lobato, Cleison C., Hage-Melim, Lorane I. S., Souto, Raimundo N. P., Lima, Clarissa S., Costa, Elizabeth V. M., Brasil, Davi S. B., Macêdo, Williams Jorge C., Carvalho, José Carlos T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271440/
https://www.ncbi.nlm.nih.gov/pubmed/24381053
http://dx.doi.org/10.3390/molecules19010367

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271440/
https://www.ncbi.nlm.nih.gov/pubmed/24381053
http://dx.doi.org/10.3390/molecules19010367

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