In Silico Study of Tyramine-Fe Complex in Brotowali (Tinospora crispa) as Anti-Inflammatory.

Autor: Widodo, Wimbuh Tri, Widyarti, Sri, Sumitro, Sutiman Bambang, Santjojo, Djoko Herry
Předmět:
Zdroj: Proceedings of the International Conference on Industrial Engineering & Operations Management; 3/7/2021, p3473-3480, 8p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index