Computational and Preclinical Analysis of 2-(4-Methyl)benzylidene-4,7-dimethyl Indan-1-one (IPX-18): A Novel Arylidene Indanone Small Molecule with Anti-Inflammatory Activity via NF-κB and Nrf2 Signaling.

ABSTRACT: Background: The adverse effects of anti-inflammatory drugs urges the search for new anti-inflammatory agents. This study aims at the preclinical analysis of the in-house synthesized small molecule IPX-18. Human whole blood (HWB), peripheral blood mononuclear cells (PBMCs), and neutrophils were used. Rat basophil cells (RBL-2H3) were used to assess degranulation. Binding stability to NF-κB-p50 was predicted using computational docking and molecular dynamic simulations. Essential signaling proteins were evaluated through flow cytometry. Results: IPX-18 inhibited the release of TNF-α with an IC₅₀ value of 298.8 nM and 96.29 nM in the HWB and PBMCs, respectively. The compound depicted an IC₅₀ value of 217.6 nM in the HWB and of 103.7 nM in the PBMCs for IFN-

SUBMITTER: Gahtani RM 

PROVIDER: S-EPMC10045539 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature