title: Synthesis pharmacological evaluation and docking studies of pyrimidine derivatives.
abstract: 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, (1)H 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.
authors.affiliation: Acharya & BM Reddy College of Pharmacy, Bangalore, Karnataka, India. sahayagiles@yahoo.com
authors.forename: D
authors.initials: D
authors.lastname: Giles
authors.forename: Karki
authors.initials: K
authors.lastname: Roopa
authors.forename: F R
authors.initials: FR
authors.lastname: Sheeba
authors.forename: P M
authors.initials: PM
authors.lastname: Gurubasavarajaswamy
authors.forename: Goli
authors.initials: G
authors.lastname: Divakar
authors.forename: Thomas
authors.initials: T
authors.lastname: Vidhya
mesh_terms: D000700:Analgesics / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D000818:Animals; D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D001234:Aspergillus niger / Q000187:drug effects; D001412:Bacillus subtilis / Q000187:drug effects; D002176:Candida albicans / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D004487:Edema / Q000139:chemically induced / Q000188:drug therapy; D004926:Escherichia coli / Q000187:drug effects; D005260:Female; D008297:Male; D051379:Mice; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D015394:Molecular Structure; D010146:Pain / Q000139:chemically induced / Q000188:drug therapy; D011550:Pseudomonas aeruginosa / Q000187:drug effects; D011743:Pyrimidines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D051381:Rats; D017208:Rats, Wistar; D013211:Staphylococcus aureus / Q000187:drug effects; D013329:Structure-Activity Relationship; D014456:Ulcer / Q000139:chemically induced / Q000188:drug therapy
chemical_list: D000700:Analgesics; D000900:Anti-Bacterial Agents; D000894:Anti-Inflammatory Agents, Non-Steroidal; D000935:Antifungal Agents; D011743:Pyrimidines; C030986:pyrimidine