Synthesis, characterization, docking studies and anti-inflammatory activity of new safe NSAIDs agent based on Ibuprofen phenylalanine derivatives | ||
| Egyptian Journal of Chemistry | ||
| Article 16, Volume 65, Issue 8, August 2022, Pages 163-176 PDF (1.06 M) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2022.137847.6069 | ||
| Authors | ||
| AbdelHameed Selim* 1; Fatma A.A. El-Hag2; Reem T Attia3; Said M. Shedid4; Mohamed A El-Gazzar4 | ||
| 1Chemistry Department, Faculty of Science, Al-Azhar University (Boys' Branch), Nasr City, Cairo, Egypt | ||
| 2Department of Chemistry of Natural and Microbial Products, National Research Centre, Dokki, P.O. 12622, Giza, Egypt | ||
| 3Department of Pharmacology, Toxicology and Biochemistry, Future University in Egypt, Cairo, Egypt. | ||
| 4Chemistry Department, Faculty of Science, Al-Azhar University (Boys' Branch), Nasr City, Cairo, Egypt | ||
| Abstract | ||
| Ibuprofen phenylalanine derivatives 1-17 as new safe nonsteroidal anti-inflammatory drugs (NSAIDs) agents were synthesized and characterized depending on spectroscopic and analytical analyses. Starting from reaction between ibuprofen with PABA to have fussed derivative 1 that reacted with phenylalanine followed by hydrazine, ammonium thiocyanate, urea derivatives to afford the new compounds. For investigated drugs 1-17, molecular docking was done at the cyclooxygenase-2 (COX-2) active site. For the purpose of discussing binding affinity, the position with the lowest root-mean square deviation (RMSD) has been chosen. The binding interaction was enhanced by adding a hydrazide fragment to the parent molecule, as shown in the docking technique. Compounds 5, 6, 12, 16 and 17 were investigated as anti-inflammatory and analgesic drugs. Using a carrageenan-induced mice of hind paw edoema, we investigated the synthesized compounds' potential anti-inflammatory activity in contrast to their parent molecule, ibuprofen. The antinociceptive and the ulcerogenic effect of the synthesized compounds have been measure. Compounds 5 and 6 are the best drug analogues and these compounds could be promising for anti-inflammatory agents. | ||
| Keywords | ||
| Ibuprofen; phenylalanine; Synthesis, docking, Analgesic, and Antiinflammatory | ||
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