Kumar, Ashwini Prem published the artcileRational design, molecular docking, dynamic simulation, synthesis, PPAR-γ competitive binding and transcription analysis of novel glitazones, COA of Formula: C9H10O4, the publication is Journal of Molecular Structure (2022), 133354, database is CAplus.
Over the last decade, peroxisome proliferator-activated receptor (PPAR-γ) has emerged as one of the important therapeutic targets in several metabolic and neurodegenerative disorders. The remarkable progress in drug discovery has resulted in designing novel PPAR-γ activators. Thiazolidinediones, also known as glitazones, have been demonstrated to play a significant role in treating several neurodegenerative diseases, diabetes, and cancer. Despite its wide range of adverse effects, glitazones orchestrate significant pharmacol. activities. In this backdrop, we designed and synthesized novel glitazones for potential PPAR-γ binding activity. The synthesized novel compounds were structurally analyzed using 1H NMR, 13C NMR and FT-IR. The interaction binding modes, binding free energy, and crucial amino acids involved in interactions of designed compounds with the target protein were studied using mol. docking. Further, mol. dynamic modeling was used to evaluate the stability of the best-docked complexes. TR-FRET, an in vitro PPAR-γ competitive binding assay, was performed to confirm the affinity of the well-docked compounds for the target protein. It demonstrated that the compounds explicitly bind to the PPAR-γ ligand-binding domain to exhibit pharmacol. activity. The cytotoxicity of synthesized compounds was performed and confirmed the PPAR-γ transcription activity on SH-SY5Y cell lines
Journal of Molecular Structure published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, COA of Formula: C9H10O4.
Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem