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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Udgivet i:PLoS One
Main Authors: 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.
Format: Artigo
Sprog:Inglês
Udgivet: Public Library of Science 2018
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6019389/
https://ncbi.nlm.nih.gov/pubmed/29944674
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0198476
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