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In silico design of a novel more stable metal binding MESD-derived peptide for targeting the second functional domains of LRP6

delete2026-05-08
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PRE
AI
N
Najme Dehghanbanadaki
M
Majid Taghdir *
H
Hanieh Sabaghian
H
Hossein Naderi‐Manesh
DOI:10.1016/j.molliq.2026.129644delete
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Abstract

Abstract

En 中文
• Inspired by the Calmodulin EF-hand, a novel metal-binding MESD-peptide variant was designed for enhanced stability. • Reference points: The study utilized previously experimentally validated full-length MESD and its C-terminal-derived peptide for comparison with the calcium bound variant • Improved stability: The newly designed peptide exhibits superior structural stability, demonstrated with higher helicity and improved hydrogen bond network. • Higher affinity: MMPBSA analysis demonstrates significantly stronger binding to the second functional domain of LRP6.
Keywords:
MESD-peptide
LRP6
metal-binding
protein stability
molecular docking

Journal

Journal of Molecular Liquids cover
Journal of Molecular Liquids
IF:
5.2
Papers:
2.5W
Citations:
9.0W

Organization

Graduate University of Advanced Technology cover
Graduate University of Advanced Technology
Scholars:
1.0K
Papers: 1.1K
Citations: 1.3K
T
Tarbiat Modares University
Scholars:
1.3W
Papers: 1.3W
Citations: 1.4W
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