Synthesis pharmacological evaluation and docking studies of pyrimidine derivatives

A new group of pyrimidine derivatives of indane-1,3-dione were synthesized aiming at the synthesis of new compounds acting as analgesic, anti-inflammatory and antimicrobial activity in a single component. The title compounds (3a-l) were synthesized from chalcone derivatives of indane-1,3-dione (2a-l) through cyclization reaction with urea. The synthesized compounds were characterized by FT-IR, 1H NMR, mass spectral data, elemental analysis and evaluated for anti-inflammatory, analgesic, antibacterial and antifungal activities. The most active compound 3e, was evaluated for its ulcerogenicity. Good anti-inflammatory property was observed for chlorophenyl substituted pyrimidine derivatives. It mainly binds with Pro 218 of 1CX2, and the ligand could have caused much conformational changes in the protein structure than other derivatives. It also exhibits good analgesic and antimicrobial agent in a single component. Pyrimidine derivatives of indane-1,3-dione were synthesized and evaluated for its anti-inflammatory, analgesic and antimicrobial activity in a single component. Chloro phenyl substituted derivative showed promising activity in a single component. [Display omitted] ► We studied the modification of pyrimidine in 4-position. ► We examine analgesic, anti-inflammatory and antimicrobial activity. ► We compared docking results with anti-inflammatory activity. ► Chloro substituted derivatives showed good pharmacological activity.