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2020 Volume 11 Issue 2

Synthesis in microwave, pharmacological evaluation, molecular docking and ADME studies of Schiff bases of Diclofenac targeting COX-2


Yasir M. Kadhim, Souad J. Lafta, Monther F. Mahdi
Abstract

Objective: To synthesize and preliminary pharmacological evaluation of new analogs of several new Schiff bases of diclofenac by investigating their interactions with COX-2 by docking and defining certain associations between their structures to improve selectivity towards COX-2 and to decrease side effects. Methods: Several new diclofenac Schiff bases were designed, prepared, and tested as potential COX-2 inhibitors. These new compounds were tested by molecular docking using genetic optimization for ligand docking suite for evaluated of their in vivo anti-inflammatory activity and COX-2 selectivity. Results: Because of their hydrogen bonding interaction with main amino acids in COX isozymes Arg121, Tyr356, and Ser120, all compounds evaluated in molecular docking exhibited important activities compared with diclofenac and 4PH9 as comparison drugs. The results of the ADME showed that all synthesized compounds absorbed from GIT while all compounds except (Yr 05 h-j) followed the Lipinski law. Conclusion: The production of the designed compounds has been managed successfully, the anti-inflammatory evaluation of the end products suggests that the new Schiff bases derivatives have strengthened their anti-inflammatory action, docking studies have shown that the preliminary analysis of anti-inflammatory activity has shown that all compounds (Yr 04, Yr 05 a-j) have strong anti-inflammatory properties, excluding Yr 03.


How to cite this article
Kadhim Y M, Lafta S J, Mahdi M F. Synthesis in microwave, pharmacological evaluation, molecular docking and ADME studies of Schiff bases of Diclofenac targeting COX-2. J Biochem Technol 2020;11(2):88-101
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J BIOCHEM TECH
J BIOCHEM TECH
Journal of Biochemical Technology is a peer reviewed International Journal published by the Sevas Publishing on behalf of the Biochemical Technology Society, a Registered Charity Organization from India

AREA OF INTEREST
AREA OF INTEREST
Areas of high interest, cover new advances in enzymatic and protein mechanims; applied molecular genetics and biotechnology; genomics and proteomics; metabolic; medical, environmental, food and agro biotechnology.

FOCUS AND SCOPE
FOCUS AND SCOPE
Journal Of Biochemical Technology” Provides A Medium For The Rapid Publication Of Full-Length Articles, Mini-Reviews Of New And Emerging Products And Short Communications On All Aspects Of ...

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This journal provides immediate open access to its content on the principle that making research freely available to the public supports a greater global exchange of knowledge. Keywords include, Biochemical Research: Endo/exocytosis, Trafficking, Membrane Biology, Cell Migration, Cell-Matrix Organelle Biogenesis, Cytoskeleton Proteolysis, Cell Death, Cell Cycle, Cancer, Cell Growth/Death, Differentiation, Drug Targets, Gene Therapy, Models of Disease, Proteomics, Stem Cells, Bioenergetics, Mitochondria, Free Radicals, Redox Signaling, Ion Transport/Channels, Oxidative