[1P-26] X線小角溶液散乱と分子動力学シミュレーションによるスエヒロタケ由来βグルカン構造観測の試み
β-glucan schizophyllan derived from Schizophyllan communis has an antitumor effect (approved as an anticancer drug) and is known to form a triple helix structure in crystals and water. In contrast, when the schizophyllan is treated with ultrasonication, its molecular weight is decreased, its structure changes from a trimer to a monomer. The anticancer activity of the schizophyllan is lost. However, monomeric schizophyllan in alkaline treatment has been found to be active in the horseshoe crab body fluid coagulation reaction. The monomeric structure of the schizophyllan in these solutions has never been directly observed. So, we have attempted to observe the monomer structure sonicated in water using small angle X-ray scattering solution (SAXS) and molecular dynamics simulation (MD). As a result, it was found to be a spherical shape although it was in a polydisperse state. Besides, it is suggested that the spherical shape of the schizophyllan is a helical structure by MD. We have performed docking simulation of the predicted structure and the receptor. Details will be introduced in the poster.