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Kimia Mohammadi1

  • 1Kimiagar Toos Pharmaceutical Company, Mashhad, Khorasan Razavi, Iran (Islamic Republic of).

Alzheimer'S & Dementia : the Journal of the Alzheimer'S Association
|December 26, 2025
PubMed
Summary
This summary is machine-generated.

This study developed selective ROCK 2 inhibitors for Alzheimer's disease treatment. The most selective compound inhibited 19 kinases, showing potential for reduced side effects.

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Area of Science:

  • Biochemistry
  • Pharmacology
  • Neuroscience

Background:

  • Rho-associated kinases (ROCKs) are crucial for cellular processes and implicated in neurodegenerative diseases.
  • ROCK signaling exacerbates Alzheimer's disease (AD) progression.
  • ROCK 2 inhibition offers therapeutic potential for AD by enhancing autophagy and reducing neuroinflammation.

Purpose of the Study:

  • To design and identify ROCK 2-selective inhibitors for potential Alzheimer's disease treatment.
  • To address the challenge of structural similarity between ROCK 1 and ROCK 2 for selective inhibition.
  • To minimize off-target side effects through kinase selectivity screening.

Main Methods:

  • Designed 63 compounds inspired by known ROCK2 inhibitors and functional groups.
  • Utilized virtual screening (docking) against 23 kinase protein structures from the PDB.
  • Assessed inhibitor selectivity based on docking scores and inhibitory constants (Ki ratios > 10).

Main Results:

  • 17 compounds exhibited varying selectivity for ROCK 2 over other kinases.
  • The compound 'Peic' demonstrated high selectivity, with Ki > 10 for 19 kinases.
  • Compound 'Si' showed the least selectivity, with Ki > 10 for only 4 kinases.

Conclusions:

  • Top 17 compounds displayed promising potency and selectivity across 4 to 19 kinases.
  • These selective ROCK 2 inhibitors are potential candidates for Alzheimer's disease therapy.
  • The developed compounds may reduce AD symptoms with fewer adverse effects due to selectivity.