New HTS selection

New hit selection from HTS

2023-12-13
In the first round of this library, only the top 100 compounds in the HTS were considered. However in line with the standard adopted for high-throughput screens in the READDI-AViDD consortia, these results were re-analyzed to include all compounds that fulfil the criteria: > Average inhibition HTS + 3×SD. This produced a cut-off at 64% inhibition giving 870 hits for consideration. These compounds were grouped into 63 clusters based on similarity and one compound was selected from each cluster. Comparing to the original selection, 12 compounds were present in the first. Of the remaining 51, 50 were available from LifeChemicals.

These 50 compounds were screened through the STOPLIGHT calculator and checked in an online PAINs remover program. Non of the compounds were caught in the filters and thus were selected for purchasing. A list of the compounds can be found in this DataWarrior file.

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2024-05-28
The selection has been tested in nano-luciferase DENV2 and DENV4 whole cell assays, with 15 compounds showing activity above 50% inhibition. EC₅₀ and whole cell cytotoxicity tests are ongoing.