A theoretical entropy score as a single value to express inhibitor selectivity
2011
A New Score to Measure Drug Selectivity
publication
Evidence: high
Author Information
Author(s): Joost CM Uitdehaag, Guido JR Zaman
Primary Institution: Merck Research Laboratories
Hypothesis
Can a theoretical entropy score provide a better measure of inhibitor selectivity compared to existing methods?
Conclusion
The theoretical entropy score is the most effective method for quantifying selectivity in drug discovery.
Supporting Evidence
- The entropy score is less sensitive to errors compared to previous measures.
- It can be applied to various profiling datasets, making it a universal parameter for expressing selectivity.
- The study shows that a more selective kinase inhibitor is not necessarily more drug-like.
Takeaway
This study introduces a new way to measure how selective a drug is, which helps scientists design better medicines with fewer side effects.
Methodology
The study proposes a theoretical entropy score calculated from IC50 data to quantify inhibitor selectivity.
Limitations
The method may not account for the specific importance of individual targets and is dependent on the assay panel used.
Digital Object Identifier (DOI)
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