Mechanistic Insights into the Anti-Inflammatory Effects of Tinospora cordifolia Extract and Vitamin D: Molecular Dynamic Simulation to In Vivo Validation

E. coli as gram-negative bacteria become global health burden and contributed significantly to morbidity and mortality across diverse population. Tinospora cordifolia rich phytochemical content. Vitamin D, on the other side, is a potent immunomodulator with far-reaching pleiotropic effects. The aimed of this study to examine the role of Tinospora cordifolia extract (TCE), vitamin D, and their combination during E. coli infection through in silico and in vivo study. Molecular docking and molecular dynamics (MD) study were performed between TCE, vitamin D, and combination to immunoglobulin A (IgA) , interleukin ۶ (IL۶), and tumor necrosis factor α proteins. Molecular docking study revealed that single compound from TCE has better result than combined with vitamin D. MD revealed the TCE bind to target protein in stable during simulation. Flowcytometry analysis revealed that single vitamin D and TCE can improve inflammation state better than combination. However, these results concluded that bioactive compounds from Tinospora can balance immune system during E. coli infection. combination between vitamin D and TCE decreasing in affinity is often the result of conformational changes, negative cooperativity, or structural competition, where one compound hinders the binding of the other.

کلیدواژه ها:

Tinospora cordifolia ، Vitamin D ، Molecular Dynamics ، Infection ، E. coli