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. Author manuscript; available in PMC: 2022 Oct 1.
Published in final edited form as: Nat Protoc. 2021 Sep 24;16(10):4799–4832. doi: 10.1038/s41596-021-00597-z

Fig. 4 ∣. Suggested experimental validation of docking hits.

Fig. 4 ∣

In general, a primary screen will use a limited number of compound concentrations to test for activity at a target. Compounds that pass a set threshold of activity in the primary screen will be moved forward to secondary confirmation of activity that is not attributed to colloidal aggregation. Identity of the compound should be confirmed if it passes these stages and before proceeding to optimization by stereoisomer purification, selection of analogs and/or experimental structure determination.