title: Design, synthesis and molecular modeling study of acylated 1,2,4-triazole-3-acetates with potential anti-inflammatory activity.
abstract: The present investigation is concerned with the synthesis of different acylated 1,2,4-triazole-3-acetates with the objective of discovering novel and potent anti-inflammatory agents. Structures of the synthesized compounds were elucidated by spectral and elemental analyses. The obtained compounds were evaluated for their anti-inflammatory activites as well as gastric ulcerogenic effects and acute toxicity. Results showed that 1-acylated-5-amino-1,2,4-triazole-3-acetates 3a-e showed higher anti-inflammatory activity than the corresponding 5-acylamino derivatives 4a-e in carageenan-induced rat paw edema test with low gastric ulcerogenicity compared with indomethacin. Furthermore, molecular modeling studies were performed in order to rationalize the obtained biological results.
authors.affiliation: Medicinal Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt. ashraf.elruby@yahoo.com
authors.forename: Ashraf M
authors.initials: AM
authors.lastname: Abdel-Megeed
authors.forename: Hamdy M
authors.initials: HM
authors.lastname: Abdel-Rahman
authors.forename: Gamal-Eldien S
authors.initials: GE
authors.lastname: Alkaramany
authors.forename: Mahmoud A
authors.initials: MA
authors.lastname: El-Gendy
mesh_terms: D000085:Acetates / Q000138:chemical synthesis* / Q000494:pharmacology / Q000627:therapeutic use; D000215:Acylation; D000818:Animals; D000893:Anti-Inflammatory Agents / Q000138:chemical synthesis* / Q000494:pharmacology; D015195:Drug Design; D064420:Drug-Related Side Effects and Adverse Reactions; D004487:Edema / Q000188:drug therapy / Q000517:prevention & control; D008958:Models, Molecular; D015394:Molecular Structure; D051381:Rats; D013276:Stomach Ulcer / Q000188:drug therapy; D014230:Triazoles / Q000138:chemical synthesis* / Q000494:pharmacology / Q000627:therapeutic use
chemical_list: D000085:Acetates; D000893:Anti-Inflammatory Agents; D014230:Triazoles