title: Synthesis, pharmacological evaluation and docking studies of coumarin derivatives.
abstract: We synthesized coumarin derivatives using various aromatic and heterocyclic amines, and tested the target compound for its analgesic, anti-inflammatory, antimicrobial activities. Compounds 3l, 3m and 3n showed significant anti-inflammatory, analgesic and antimicrobial activities. The synthesized compounds, then docked on COX-2 to predict the binding affinity and orientation at the active site of the receptor. It was found that the active compounds 3l, 3m and 3n intact mainly with Arg 44 amino acid, which may be involved in COX-2 inhibition. The compounds which bind with Arg 44 have significant anti-inflammatory activity. This could be due to the formation of more effective hydrogen bond with the receptor. Comparing pharmacological activity and docking results, we conclude that heterocyclic derivatives linked with nitrogen at 7-position of coumarin seem to be potentially active drug.
authors.affiliation: Acharya & B.M Reddy College of Pharmacy, Soldevanahalli, Chikkabanavara Post, Bangalore 560090, Karnataka, India. sahayagiles@yahoo.com
authors.forename: B
authors.initials: B
authors.lastname: Sandhya
authors.forename: D
authors.initials: D
authors.lastname: Giles
authors.forename: Vinod
authors.initials: V
authors.lastname: Mathew
authors.forename: Guru
authors.initials: G
authors.lastname: Basavarajaswamy
authors.forename: Rekha
authors.initials: R
authors.lastname: Abraham
mesh_terms: D000818:Animals; D003374:Coumarins / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008297:Male; D008958:Models, Molecular; D051381:Rats; D017208:Rats, Wistar; D013055:Spectrophotometry, Infrared
chemical_list: D003374:Coumarins; C030123:coumarin