Synthesis of some new pyrrole derivatives and investigation of their biological effects

Abstract

The inflammatory response is a complex biological process that acts as a crucial protective mechanism against potential harm. At the center of this process, cyclooxygenase (COX) enzymes that synthesize prostaglandins, especially COX-1 and COX-2 subtypes, play a significant role. In this work, as aimed to advance scientific knowledge, to contribute to this field, new pyrrole derivatives were designed and synthesized as potential inhibitors of the COX enzyme. Our goal was to discover more potent molecules to modulate the enzyme's activity. By scanning our synthesis library consisting of approximately 3,000 compounds, we identified potential active substances in a short time and effectively. Additionally, we benefited from advanced docking studies and quantitative structure-activity relationship (QSAR) analyses to further understand the complex interaction between the synthesized compounds and (COX-1/-2) enzymes. As a result, we determined our synthesis path in line with the QSAR data we obtained. In particular, compounds 4g, 4h, 4k, 4l, 5b and 5e have been identified as potent inhibitors of COX enzyme activity. We believe that these latest findings will make an important contribution, not only providing a new perspective for scientific discoveries, but also paving the way for further research towards the potential development of new antiinflammatory drugs using pyrrole derivatives as COX enzyme inhibitors.