NEW DECAHYDROACRIDINE-1,8-DIONES DERIVED FROM 3-AMINOCYCLOHEX-2-EN-1-ONE: SYNTHESIS, CHARACTERIZATION, ANTIOXIDANT, In-vitro, AND In-silico ANTI-INFLAMMATORY ACTIVITY

Abstract

New decahydroacridine-1,8-dione derivatives have been synthesized from 3-aminocyclohex-2-en-1-one. The compounds were characterized based on spectroscopic data and assessed their antioxidant and anti-inflammatory properties both in-vitro and in-silico. All the compounds exhibited poor in-vitro antioxidant activity but high in-vitro anti-inflammatory activity. An in-silico study using Autodock v 4.2 integrated LigandScout software 4.4.3. against the COX-1 (PBD ID: 1CQE) and COX-2 (PBD ID: 6COX) enzymes indicated that all the compounds could interact with both enzymes. Except for 3c against COX-1, the compounds’ interaction with both enzymes exhibited binding energy lower than diclofenac and curcumin. The results confirm that the compounds have a high potential to be anti-inflammatory agents and deserve further development.