TY - GEN
T1 - In silico study of Tyramine-Fe complex in Brotowali (Tinospora crispa) as anti-inflammatory
AU - Widodo, Wimbuh Tri
AU - Widyarti, Sri
AU - Sumitro, Sutiman Bambang
AU - Santjojo, Djoko Herry
N1 - Publisher Copyright:
© IEOM Society International.
PY - 2021
Y1 - 2021
N2 - Tyramine-Fe complex is predicted present in Brotowali (Tinospora crispa) and play a role in its anti-inflammatory activity. Excessive inflammation in COVID-19 patients can be fatal and can even cause death. Anti-inflammatory drugs such as aspirin and ibuprofen inhibits the reaction of prostaglandin formation from COX 2 and arachidonic acid. This study aims to investigate COX 2-tyramine-Fe complex interactions using bioinformatic softwares In this study, docking simulations was performed between COX 2 and tyramine-Fe complex, tyramine, ibuprofen, and aspirin. The results showed that COX 2-tyramine-Fe complex binding site overlapped with the COX 2-ibuprofen binding site while COX 2-tyramine binding site overlapped with the COX 2-Aspirin binding site. COX 2-tyramine-Fe complex's binding energy is smaller than COX 2- tyramine, COX 2- aspirin, COX 2-ibuprofen. These results suggest that the COX 2-tyramine-Fe complex has anti-inflammatory properties so that it can prevent excessive inflammation in COVID-19 patients.
AB - Tyramine-Fe complex is predicted present in Brotowali (Tinospora crispa) and play a role in its anti-inflammatory activity. Excessive inflammation in COVID-19 patients can be fatal and can even cause death. Anti-inflammatory drugs such as aspirin and ibuprofen inhibits the reaction of prostaglandin formation from COX 2 and arachidonic acid. This study aims to investigate COX 2-tyramine-Fe complex interactions using bioinformatic softwares In this study, docking simulations was performed between COX 2 and tyramine-Fe complex, tyramine, ibuprofen, and aspirin. The results showed that COX 2-tyramine-Fe complex binding site overlapped with the COX 2-ibuprofen binding site while COX 2-tyramine binding site overlapped with the COX 2-Aspirin binding site. COX 2-tyramine-Fe complex's binding energy is smaller than COX 2- tyramine, COX 2- aspirin, COX 2-ibuprofen. These results suggest that the COX 2-tyramine-Fe complex has anti-inflammatory properties so that it can prevent excessive inflammation in COVID-19 patients.
KW - Anti-Inflammatory
KW - Brotowali
KW - Tinospora crispa
KW - Tyramine-Fe Complex
UR - https://www.scopus.com/pages/publications/85114251134
M3 - Conference contribution
AN - SCOPUS:85114251134
SN - 9781792361241
T3 - Proceedings of the International Conference on Industrial Engineering and Operations Management
SP - 3473
EP - 3480
BT - Proceedings of the 11th Annual International Conference on Industrial Engineering and Operations Management, 2021
PB - IEOM Society
T2 - 11th Annual International Conference on Industrial Engineering and Operations Management, IEOM 2021
Y2 - 7 March 2021 through 11 March 2021
ER -