Synthesis, Molecular Docking Studies and Biological Evaluation of Quinoline Derivatives as COX Inhibitors

NSAIDs have been widely used around the world for the past three decades as the primary class of treatments. The objective of this work was to create and produce a new set of compounds called Quinoline derivatives, and then assess their ability to suppress cyclooxygenase (COX). The synthesized compounds underwent characterization using 1H, 13C-NMR, IR, spectrum analysis. Additionally, their selectivity towards COX-1 was assessed using an in vitro COX inhibition assay kit. In addition, molecular docking analyses took place to identify the potential binding modes of these medications in COX-1, utilizing X-ray crystal structures from humans. A novel molecule named quinoline-thiadiazoles derivative has demonstrated the capacity to inhibit the activity of COX-1, which is responsible for the synthesis of prostaglandins. The docking score of the created chemical varies from -8.56 to -5.87Kcal/mol. Additionally, all compounds exhibited anti-inflammatory properties, and extensive toxicity testing confirmed the absence of any detrimental or hazardous effects. The synthesized compounds have the potential to be effective therapeutic candidates for treating inflammation, especially with additional architectural improvements.