Development of novel salicylic acid derivatives with dual anti-inflammatory and anti-arthritic potentials: synthesis, in vitro bio-evaluation, and in silico toxicity prediction with molecular modeling simulations
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.
Fields of Study & Subjects
Computational Drug Discovery Methods
Cholinesterase and Neurodegenerative Diseases
Synthesis and biological activity
Publication details
- Journal / source
- RSC Advances
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 16
- Issue
- 4
- Pages
- 3509–3526
- Publication date
- 1 January 2026
- Language
- EN