Design, synthesis, and biological evaluation of novel chalcone derivatives: integrating molecular docking with <i>in vivo</i> anti-inflammatory and antinociceptive studies.

ABSTRACT: Chronic inflammatory disorders are often accompanied by persistent pain, yet current therapies remain limited by modest efficacy and adverse effects. To address this challenge, a series of eleven chalcone-based derivatives was synthesized via Claisen-Schmidt condensation and structurally characterized by FTIR, ¹H-NMR, ¹³C-NMR, and EIMS analyses. Cytotoxicity assessment on 3T3 fibroblasts using the MTT assay revealed no toxicity compared to doxorubicin, while brine shrimp lethality and hemolytic assays further confirmed their safety profile. In vitro COX-1/2 assays demonstrated preferential inhibition of COX-2, with AS1-6 showing a superior selectivity index relative to nimesulide. In vivo screening corroborated these results: AS1-2, AS1-6, and AS1

SUBMITTER: Shamim A 

PROVIDER: S-EPMC12801139 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature