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. 2022 Apr 14;12(4):64. doi: 10.1038/s41408-022-00663-z

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 1 — A virtual screen of Evotec’s library of commercially available compounds was performed that included an initial filtration for drug-like properties, followed by a preselection against shape-based pharmacophore of published RAC inhibitors. Next, a biological screen was carried out consisting of: (i) scoring for inhibition of growth on leukemic cell lines of 107 selected compounds, (ii) assessment of toxicity to normal bone marrow progenitors of compounds that showed good anti-leukemic activity, and (iii) validating on-target effects by RAC PBD pull down of non-toxic compounds. Created with BioRender.com.