Objective: To analyze the effect of the active substances of Michelia champaka on VEGF in pathomechanism of the jaw osteonecrosis.
Methodology: This is an in silico research. The three-dimensional structure in sdf file was converted to PDB format using the Open Babel 2.3.1 software. The three-dimensional structure model of RCSB Vascular Endothelial Growth Factor (VEGF) PDB ID: GDP-2VPF was obtained from http://www.rcsb.org/pdb. The ligand-protein docking and visualization analysis were carried out with Hex8.0 and Discovery Studio Client 3.5 software.
Results: The energies required for interaction between the polyisoprenoid, micheliolide, β-sitosterol, oxoxylopine (lanuginosine), liriodenine (macheline B) and linalool compounds and VEGF were -443.16 KJ/mol; -222.73 KJ/mol; -248.16 KJ/mol; -252.41 KJ/mol; -237.78 KJ/mol; and -176.69 KJ / mol, consecutively.
Conclusion: It is concluded that the Michelia champaka active substances can interact with VEGF so that this plant potentially serves as predisposition factor of the jaw osteonecrosis. The polyisoprenoid needed the smallest energy to make an interaction with VEGF.
Key words: Osteonecrosis, jaw, angiogenesis, VEGF, predisposition.
|
