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. 2019 May 13;9:7260. doi: 10.1038/s41598-019-43677-7

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© The Author(s) 2019

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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Novel DREAM ligands by structure-based chemical design. (a) Superposition of two different binding poses of IQM-PC205 with DREAM. Locations of the Tyr118 and Tyr130 residues are indicated (cyan). (b) Design approach and chemical structures. (c) Direct binding of selected compounds (16–18, IQM-PC332, 33–35, IQM-PC330) to immobilized DREAM in comparison with the hit IQM-PC205, CL-888 (positive control) and glibenclamide (Gb, negative control) determined by SPR spectroscopy. RU, resonance units. (d) SPR binding plot. IQM-PC330 K_D = 3.9 ± 0.4 · 10⁻⁵ M; IQM-PC332 K_D = 2.8 ± 0.3 · 10⁻⁵ M. (e) Calcium concentration dependency of the IQM-PC compounds to bind DREAM (f) Magnesium concentration dependency of the IQM-PC compounds to bind DREAM.