Synthesis, anti-inflammatory, molecular docking and ADME studies of new derivatives of ketoprofen as cyclooxygenases inhibitor

  • Mustafa M. Allawi Department of Pharmacy, Uruk University College, Baghdad, Iraq.
  • Monther F. Mahdi Department of Pharmacy, Ashur University College, Baghdad, Iraq.
  • Ayad M. R. Raauf Department of Pharmaceutical Chemistry, College of Pharmacy, University of Mustansiriyah, Baghdad, Iraq.

Abstract

The synthesis of new selective COX-2 enzyme is an approach for obtaining potent, anti-inflammatory drugs that have fewer side effects. Ketoprofen has a very low selectivity toward COX-2 enzyme and has a serious GIT side effects because it induces gastric ulcer. A new series of 4-thiazolidinones bearing ketoprofen moiety was designed, synthesized, and then evaluated as a


new inhibitor of cyclooxygenase-2 (COX-2).


Characterization and identification of the synthesized compounds were established by determination of 1H-NMR spectra,13C-NMR spectra, FT-IR spectroscopy, and physical properties.


These newly synthesized compounds have been evaluated in vivo for their anti-inflammatory efficiency and in silico selectivity toward COX-2 throughout molecular docking by using GOLD.suite.v.5.6.2. All the tested. compounds via molecular. docking showed significant. activities when compared. With ketoprofen and diclofenac as references drugs, the results were consistent with the study of in in vivo acute. anti-inflammatory activity.


Also, ADME studies had been accomplished in order to predict the absorption sites, bioavailability, topological polar surface Area (TPSA), and also drug-likeness.  The ADME results reported that. All the synthesized. compounds can be absorbed by the GIT.

Published
2019-12-01
How to Cite
ALLAWI, Mustafa M.; MAHDI, Monther F.; RAAUF, Ayad M. R.. Synthesis, anti-inflammatory, molecular docking and ADME studies of new derivatives of ketoprofen as cyclooxygenases inhibitor. Al-Mustansiriyah Journal of Pharmaceutical Sciences (AJPS), [S.l.], v. 19, n. 4, p. 125-139, dec. 2019. ISSN 1815-0993. Available at: <http://ajps.uomustansiriyah.edu.iq/index.php/AJPS/article/view/644>. Date accessed: 15 nov. 2019.