Designing a Small Fluorescent Inhibitor to Investigate Soluble Epoxide Hydrolase Engagement in Living Cells

Autor: Steffen Brunst, Julia Schönfeld, Peter Breunig, Luisa D. Burgers, Murphy DeMeglio, Johanna H. M. Ehrler, Felix F. Lillich, Lilia Weizel, Jasmin K. Hefendehl, Robert Fürst, Ewgenij Proschak, Kerstin Hiesinger

Publikováno v: ACS Medicinal Chemistry Letters. 13:1062-1067

Soluble epoxide hydrolase (sEH) is a promising target for a number of inflammation-related diseases. In addition, inhibition of sEH has been shown to reduce neuroinflammation, which plays a critical role in the development of central nervous system (

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5984b553261d1d005e3c6b5772b1cc52
https://doi.org/10.1021/acsmedchemlett.2c00073

Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain

Autor: Stefano Woltersdorf, Thomas Duflot, Christophe Morisseau, Victor Hernandez-Olmos, Ewgenij Proschak, Apirat Chaikuad, Franca-M Klingler, Sandra K. Wittmann, Felix Knöll, Dieter Steinhilber, Jan S. Kramer, Felix F Lillich, Angelo Sala, Kerstin Hiesinger, Daniel Merk, Sylvain Fraineau, Jeremy Bellien, Bruce D. Hammock, Jan Heering, Steffen Brunst, Stefan Knapp, G. Enrico Rovati, Julie Rondeaux, Denys Pogoryelov, Carola Buccellati, Matthieu Leuillier

Publikováno v: J Med Chem
Journal of Medicinal Chemistry
Journal of Medicinal Chemistry, 2019, 62 (18), pp.8443-8460. ⟨10.1021/acs.jmedchem.9b00445⟩
Journal of medicinal chemistry, vol 62, iss 18
Journal of Medicinal Chemistry, American Chemical Society, 2019, 62 (18), pp.8443-8460. ⟨10.1021/acs.jmedchem.9b00445⟩

International audience; The emerging pharmacological target soluble epoxide hydrolase (sEH) is a bifunctional enzyme exhibiting two different catalytic activities that are located in two distinct domains. Although the physiological role of the C-term

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96b07e7660f038c7c67a88ec36232ea6
https://doi.org/10.1021/acs.jmedchem.9b00445

Systematic Assessment of Fragment Identification for Multitarget Drug Design

Autor: Kerstin Hiesinger, Whitney Kilu, Steffen Brunst, Jan S. Kramer, Dieter Steinhilber, Sven George, Julius Pollinger, Jan Heering, Ewgenij Proschak, Daniel Merk

Publikováno v: Chemmedchem

Designed multitarget ligands are a popular approach to generating efficient and safe drugs, and fragment‐based strategies have been postulated as a versatile avenue to discover multitarget ligand leads. To systematically probe the potential of frag

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78767e45d2815a2f27df8cf3a2cfea69
https://pubmed.ncbi.nlm.nih.gov/33283450

Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase

Autor: Lena Hefke, W. Felix Zhu, Ewgenij Proschak, Kerstin Hiesinger, Jan S. Kramer

Publikováno v: ACS Med Chem Lett

[Image: see text] Multitarget ligands are interesting candidates for drug discovery and development due to improved safety and efficacy. However, rational design and optimization of multitarget ligands is tedious because affinity optimization for two

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2513a6708ca6015ff32d7afcdda5fa81
https://publica.fraunhofer.de/handle/publica/267020

Computer-Aided Selective Optimization of Side Activities of Talinolol

Autor: Kerstin Hiesinger, Jan S. Kramer, Janosch Achenbach, Daniel Moser, Julia Weber, Sandra K. Wittmann, Christophe Morisseau, Carlo Angioni, Gerd Geisslinger, Astrid S. Kahnt, Astrid Kaiser, Anna Proschak, Dieter Steinhilber, Denys Pogoryelov, Karen Wagner, Bruce D. Hammock, Ewgenij Proschak

Publikováno v: ACS Med Chem Lett
ACS medicinal chemistry letters, vol 10, iss 6

[Image: see text] Selective optimization of side activities is a valuable source of novel lead structures in drug discovery. In this study, a computer-aided approach was used to deorphanize the pleiotropic cholesterol-lowering effects of the beta-blo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17d0bd79212ad879a0f7127a657eeefd
https://publica.fraunhofer.de/handle/publica/258815