A guide to drug discovery: Designing screens: how to make your hits a hit

By W. Patrick Walters, M. Namchuk. Nature reviews. Drug discovery, 2003

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A practical guide to large-scale docking (2021, background): “…or radical trap, like β -mercaptoenthanol or ascorbic acid Spectroscopic interference Assay disruption via light absorption or ﬂ uorescence 137 – 140 , or inhibition of a reporter enzyme, like luciferase 141 Multiple chemotypes, often highly conjugated Spectroscopic interference will change…”
Drug discovery from medicinal plants. (2005, background): “Although the design of high-throughput screening assays can be challenging (Walters and Namchuk, 2003), after a screening assay is in place, compound and extract libraries can be tested for biological activity.”
Developing and validating predictive decision tree models from mining chemical structural fingerprints and high–throughput screening data in PubChem (2008, background): “Further examination of verified hits from the secondary dose-response assay can be eventually winnowed to a few to proceed to the medicinal chemistry phase for lead optimization [4,5].”