title: Design, synthesis and QSAR studies on a series of 2, 5-disubstituted- 1,3,4-oxadiazole derivatives of diclofenac and naproxen for analgesic and anti-inflammatory activity.
abstract: A series of twenty molecules belonging to 2,5-disubstituted-1,3,4-oxadiazole derivatives of Diclofenac and Naproxen were designed, synthesized and their structures were confirmed by spectroscopy. The target compounds were evaluated for anti-inflammatory and analgesic activity. The result indicates that the compounds 12, 4, 6, 7 and 15 were found to have good analgesic and anti-inflammatory activities, while the compounds 12 and 14 were found to have good analgesic and the compound 22 were found to have good anti-inflammatory activities. HQSAR and Topomer QSAR studies were performed to get insights in the structures contributing for biological activity. The compounds bearing mono-substitution such as Cl, OCH3 and NO2 in the phenyl ring were found to have maximum analgesic and anti-inflammatory activities.
authors.affiliation: Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM University, Kattankulathur - 603 203, Kancheepuram (Dt), Tamil Nadu, India. ilangok67@gmail.com.
authors.forename: Kaliappan
authors.initials: K
authors.lastname: Ilango
authors.forename: Parthiban
authors.initials: P
authors.lastname: Valentina
authors.forename: Gajendra
authors.initials: G
authors.lastname: Kumar
authors.forename: Dushyant
authors.initials: D
authors.lastname: Dixit
authors.forename: Shrikant
authors.initials: S
authors.lastname: Nilewar
authors.forename: Muthu K
authors.initials: MK
authors.lastname: Kathiravan
mesh_terms: D000700:Analgesics / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004008:Diclofenac / Q000031:analogs & derivatives*; D015195:Drug Design; D005260:Female; D007249:Inflammation / Q000188:drug therapy; D008297:Male; D051379:Mice; D015394:Molecular Structure; D009288:Naproxen / Q000031:analogs & derivatives*; D010069:Oxadiazoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D010146:Pain / Q000188:drug therapy; D010147:Pain Measurement; D021281:Quantitative Structure-Activity Relationship; D051381:Rats
chemical_list: D000700:Analgesics; D000894:Anti-Inflammatory Agents, Non-Steroidal; D010069:Oxadiazoles; D004008:Diclofenac; D009288:Naproxen