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article · RSC Advances

Development of novel salicylic acid derivatives with dual anti-inflammatory and anti-arthritic potentials: synthesis, <i>in vitro</i> bio-evaluation, and <i>in silico</i> toxicity prediction with molecular modeling simulations

20262 citationsOpen accessSuez University

Abstract

toxicity predictions were conducted, demonstrating a safer profile compared to the utilized drugs. Additionally, docking simulations were performed for the most active derivatives, revealing higher binding affinities, supported by hydrogen bonding, arene-cation interactions, and hydrophobic interactions.

Research topics

  • Computational Drug Discovery Methods
  • Cholinesterase and Neurodegenerative Diseases
  • Synthesis and biological activity

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DOI: 10.1039/d5ra07622f

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