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...
Main Authors: | Jefferson A Rocha, Nayra C S Rego, Bruna T S Carvalho, Francisco I Silva, Jose A Sousa, Ricardo M Ramos, Ionara N G Passos, Josué de Moraes, Jose R S A Leite, Francisco C A Lima |
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Format: | Article |
Language: | English |
Published: |
Public Library of Science (PLoS)
2018-01-01
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Series: | PLoS ONE |
Online Access: | http://europepmc.org/articles/PMC6019389?pdf=render |
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