论文部分内容阅读
研究鹅膏毒肽与RNA聚合酶Ⅱ相互作用的分子机制,利用分子对接方法获得了9种鹅膏毒肽与RNA聚合酶Ⅱ相互作用的结合模式、结合位点、对接能和抑制常数等信息,并对鹅膏毒肽的毒性与结构间的构效关系进行了考察。结果表明:利用分子对接方法获得的鹅膏毒肽与RNA聚合酶Ⅱ相互作用的信息与实验结果相一致;不同R2取代基引起毒素与聚合酶II结合能力强弱不同,从而导致鹅膏毒肽分子间的毒性差异。结果证实了运用分子对接方法探索多肽分子与蛋白质相互作用的可行性,为在分子水平上研究多肽与蛋白质的相互作用开拓了新的思路。
To study the molecular mechanism of the interaction between amanita toxin and RNA polymerase Ⅱ, the binding mode, binding site, docking energy and inhibition constant of nine kinds of amanita toxin and RNA polymerase Ⅱ were obtained by molecular docking , And the relationship between the toxicity and the structure-activity relationship of amanita toxin was investigated. The results showed that the information of the interaction between amanita drug peptide and RNA polymerase Ⅱ obtained by the molecular docking method is consistent with the experimental results. The binding ability of different R2 substituents to the toxin and polymerase II is different, resulting in amanitin Intermolecular toxicity differences. The results confirmed the feasibility of using molecular docking method to explore the interaction between polypeptide molecules and proteins and opened up new ideas for the study of the interaction between peptides and proteins at the molecular level.