De Novo Design and Synthesis of a -Turn Peptidomimetic Scaffold and Its Application as JNK3 Allosteric Ligand
- Title
- De Novo Design and Synthesis of a -Turn Peptidomimetic Scaffold and Its Application as JNK3 Allosteric Ligand
- Author
- 하정미
- Keywords
- allosteric; gamma turn; JNK3; kinase inhibitors; peptidomimetics; scaffold hopping
- Issue Date
- 2015-06
- Publisher
- WILEY-V C H VERLAG GMBH
- Citation
- CHEMISTRY-AN ASIAN JOURNAL, v. 10, NO. 6, Page. 1318-1326
- Abstract
- As a way to develop a neuroprotective agent for the JNK3-JIP1-binding site, peptidomimetics of JIP-1 as JNK3 allosteric regulators have been examined. The study consisted of in silico scaffold hopping, molecular docking, solution and solid-phase peptide syntheses, and K-d measurements using surface plasmon resonance. As a peptidomimetic of JIP1, heptamer mimetic 16 (K-d=2.72m) displayed a higher affinity than decamer JIP1 (K-d=23.6m). The high affinity of 16 implies that the characteristic -turn mimetic structure, phi-X-phi hydrophobic motif in 16, increased its affinity toward the JIP-site of JNK3.
- URI
- https://onlinelibrary.wiley.com/doi/10.1002/asia.201403417https://repository.hanyang.ac.kr/handle/20.500.11754/186131
- ISSN
- 1861-4728;1861-471X
- DOI
- 10.1002/asia.201403417
- Appears in Collections:
- COLLEGE OF PHARMACY[E](약학대학) > PHARMACY(약학과) > Articles
- Files in This Item:
- 1284_하정미.pdfDownload
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