What is it about?
A combination of molecular simulations, organic chemical synthesis and in vitro bioactivity measurements were applied to develop promising chemicals to act against various infectious viruses.
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Why is it important?
The 3C protease is one of the most promising targets for antiviral drug discovery.
Perspectives
In the time since helping to perform this study, I have grown increasingly sensitive to the need for being able to systematically account for viral resistance. By mining viral phylogenetic trees, I have begun developing target-specific models that project target features that are most or least likely to become modified during the course of viral mutations. Such information provides a more intelligent basis for designing drugs that can withstand viral adaptation.
Dr Gerald H Lushington
LiS Consulting
Read the Original
This page is a summary of: Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element, European Journal of Medicinal Chemistry, April 2018, Elsevier,
DOI: 10.1016/j.ejmech.2018.03.004.
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