Link to bioRxiv paper: http://biorxiv.org/cgi/content/short/2020.08.24.264473v1?rss=1 Authors: Widodo, W. T., Sumitro, S. B., Widyarti, S., Santjojo, D. H. Abstract: Tyramine-Fe complex is a bioinorganic complex that is formed in brotowali. The complex is thought to play a role in the anti-inflammatory activity of brotowali. The mechanism of anti-inflammatory drugs such as aspirin and ibuprofen is to inhibit the reaction of prostaglandin formation from COX2 and arachidonic acid. In this study, a docking simulation was performed between COX2 with single tyramine, tyramine-Fe complex ibuprofen, and aspirin. The results showed that the COX2-single tyramine bond overlapped with COX2-aspirin, while COX2-tyramine-Fe complex bond overlapped with COX2-ibuprofen. The energy required to form COX2-tyramine-Fe complex bond was smaller than that of single tyramine, aspirin, and ibuprofen. The number of bonds of COX2-tyramine-Fe complex bond is higher than that of single tyramine. These results proved that COX2-tyramine-Fe complex bond had anti-inflammatory activity and greater activity than single tyramine. Copy rights belong to original authors. Visit the link for more info