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
Kholoud Hesham, Wael M. Aboulthana, Ahmed Ragab
原始摘要(英文原文)· Original 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.
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 — 科研速览 Science Skim