What is it about?
Two HTS screens identified some antimalarials and SERMs as active against Ebola. This paper explores if the molecules share similarities that could allow them to interact with the same target. This paper explores computational approaches such as pharmacophores and docking. VP35 has crystal structures of ligands and the molecules share some overlap with the 4 compounds used in the pharmacophore.
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Why is it important?
Screening against the virus does not provide information on the potential target. No one had looked at similarity overlap of antimalarials and SERMSs or possible targets.
Perspectives
This paper came out of a few Tweets and lead to a number of papers / perspectives on Ebola. The most recent work and experimental validation identified another antimalarial compound as more active.
Dr Sean Ekins
Collaborations in Chemistry
Read the Original
This page is a summary of: A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus, F1000Research, November 2014, Faculty of 1000, Ltd.,
DOI: 10.12688/f1000research.5741.1.
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