Bioinformatic Analysis of Vitamin D as a Pro-Inflammatory Cytokine Inhibitor in Periodontal Disease: An in-Silico Study

The active metabolite of vitamin D has an anti-inflammatory effect by decreasing the expression and generating several pro-inflammatory cytokines including tumor necrosis factor (TNF)-α, interleukin (IL)-6, IL-1β, IL-8 and increasing anti-inflammatory cytokines such IL-5, IL-10, and IL-5. The active metabolite of vitamin D 1,25 dihydroxyvitamin D (1,25(OH)2D3) has a high compatibility and specificity for nVDR (nuclear receptor/ Vitamin D Receptor). The method used is an in-silico test. The ligand structure and target protein were downloaded from the PubChem NCBI database and docked with computational software Discovery Studio 21.1.1. version and Hex Cuda 8.0.0. This study showed the types of bonds between vitamin D and three compounds, including hydrophobic interactions, unfavourable bonds, and hydrogen bonds. The binding energy values of each of the three compounds were TNF-α -312.66 kJ/mol, IL-1β -267.17 kJ/mol, and VDR -301.41 kJ/mol. The lowest binding energy of the ligand-target protein complex indicates the strongest bond between ligand and target protein. The active metabolite of vitamin D has an anti-inflammatory effect on pro-inflammatory cytokines including TNF-α and IL-1β. In silico, vitamin D binds highly to the VDR and binds to TNF-α more than IL-1β.