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  5. Design, synthesis and evaluation of inhibitors of hedgehog acyltransferase
 
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Design, synthesis and evaluation of inhibitors of hedgehog acyltransferase
File(s)
ritzefeld-et-al-2024-design-synthesis-and-evaluation-of-inhibitors-of-hedgehog-acyltransferase.pdf (5.35 MB)
Published version
Author(s)
Ritzefeld, Markus
Zhang, Leran
Xiao, Zhangping
Andrei, sebastian
Gavriil, Efthymios
more
Type
Journal Article
Abstract
Hedgehog signaling is involved in embryonic development and cancer growth. Functional activity of secreted Hedgehog signaling proteins is dependent on N-terminal palmitoylation, making the palmitoyl transferase Hedgehog acyltransferase (HHAT), a potential drug target and a series of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines have been identified as HHAT inhibitors. Based on structural data, we designed and synthesized 37 new analogues which we profiled alongside 13 previously reported analogues in enzymatic and cellular assays. Our results show that a central amide linkage, a secondary amine, and (R)-configuration at the 4-position of the core are three key factors for inhibitory potency. Several potent analogues with low- or sub-μM IC50 against purified HHAT also inhibit Sonic Hedgehog (SHH) palmitoylation in cells and suppress the SHH signaling pathway. This work identifies IMP-1575 as the most potent cell-active chemical probe for HHAT function, alongside an inactive control enantiomer, providing tool compounds for validation of HHAT as a target in cellular assays.
Date Issued
2024-01-25
Date Acceptance
2023-12-12
Citation
Journal of Medicinal Chemistry, 2024, 67 (2), pp.1061-1078
URI
http://hdl.handle.net/10044/1/108910
DOI
https://www.dx.doi.org/10.1021/acs.jmedchem.3c01363
ISSN
0022-2623
Publisher
American Chemical Society
Start Page
1061
End Page
1078
Journal / Book Title
Journal of Medicinal Chemistry
Volume
67
Issue
2
Copyright Statement
© 2024 The Authors. Published by American Chemical Society. This publication is licensed under
CC-BY 4.0. (https://creativecommons.org/licenses/by/4.0/)
License URL
https://creativecommons.org/licenses/by/4.0/
Publication Status
Published
Date Publish Online
2024-01-10
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