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Study of In silico Anti-Inflammatory Potential of Tyramine-Fe complex in Brotowali Plants
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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.
Title: Study of In silico Anti-Inflammatory Potential of Tyramine-Fe complex in Brotowali Plants
Description:
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.
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