Molecular mechanism of the interaction between amanitin and RNA polymerase II
鹅膏毒肽与RNA聚合酶Ⅱ相互作用的分子机制研究

Molecular docking was introduced to study the molecular mechanism of the interaction between amanitin and RNA polymerase II. Through the analyses of docking results, the binding mode, the binding site, the docking energy, and the inhibition constant of nine amanitins were obtained, which were in accordance with the experimental results. In addition, the relationship between the toxicity and the structures of amanitins was carefully studied. The difference of toxicity in nine amanitins derived from the different substitutes of R2, and the binding ability was closely related with the toxicity. It deserved note that it was feasible to study the interaction between protein and polypeptide by molecular docking, and the method created great possibilities for the study of polypeptide-protein interaction at the molecular level.