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Computational quantum chemistry, molecular docking, and ADMET predictions of imidazole alkaloids of Pilocarpus microphyllus with schistosomicidal properties

Schistosomiasis affects million people and its control is widely dependent on a single drug, praziquantel. Computational chemistry has led to the development of new tools that predict molecular properties related to pharmacological potential. We conducted a theoretical study of the imizadole alkaloi...

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Detalles Bibliográficos
Autores principales:	Rocha, Jefferson A., Rego, Nayra C. S., Carvalho, Bruna T. S., Silva, Francisco I., Sousa, Jose A., Ramos, Ricardo M., Passos, Ionara N. G., de Moraes, Josué, Leite, Jose R. S. A., Lima, Francisco C. A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2018
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6019389/ https://www.ncbi.nlm.nih.gov/pubmed/29944674 http://dx.doi.org/10.1371/journal.pone.0198476

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