Abstract :
As many diseases such as cancer, metabolic disorders, aging, and neurodegenerative diseases present themselves via inflammation,there is always a need to have better anti-inflammatory drugs. Xanthones, a unique scaffold with a 9H-Xanthen-9-one core structure possesses anti-inflammatory activity. This research work comprised of theoretically designing thirty 3-aminoalkoxy derivatives of xanthone, estimation of physicochemical properties and their Molecular Docking with COX-1 receptor. The best docking scores are possessed by LIG12, LIG23 and LIG30 which were halo substituted phenyl derivatives, LIG7 which had an anilino substitution and LIG27 which had ortho-nitro phenyl substituted derivative. The docking scores of LIG7, LIG12, LIG23, LIG27 and LIG30 were found to be -10.6, -10.7, -10.7, -10.8 and -10.5 kcal/mol.
Keyword :
Xanthone Derivatives, Antiinflammatory, Molecular Docking, 2D&3D interactions, COX 1