苍术苷靶向癌蛋白BORIS抑制癌细胞增殖的作用区域

Atractyloside targets the area of action of oncoprotein BORIS to inhibit cancer cell proliferation

目的:探讨苍术苷靶向癌蛋白BORIS抑制癌细胞增殖的结合作用区域。方法:采用DNAMAN对比序列寻找BORIS保守区域,选择保守区域利用SWISS-MODEL结构预测,ChemBio3D Ultra进行结构最小量化,Autodocking进行分子对接。过表达相应区段的BORIS进行验证。结果:BORIS-N端在生物进化过程中有相对保守的区域并且有高级结构存在,人源BORIS的N端是我们推测的主要作用区域,重点是第70~97位氨基酸,分子对接后和苍术苷结合最好的位点为第96位的谷氨酰胺,该区域会抑制细胞增殖。结论:BORIS-N端和苍术苷存在作用区域,且该区段对细胞增殖有重要作用,对今后筛选靶向药物有重要意义。

AIM:To analyze the binding area of atractyloside targeting oncoprotein BORIS to inhibit cancer cell proliferation.METHODS:DNAMAN comparison sequences were used to find the conserved regions of BORIS.Conservative regions were elected and the structure were predicted using SWISS-MODEL.ChemBio3 D Ultra was used for minimum structure quantification,and Autodocking for molecular docking.The BORIS of the corresponding segment were overexpressed for verification.RESULTS:BORIS-N end had relatively conserved regions and high-level structures in the biological evolution process.The N-terminal of human-derived BORIS was the main action area we speculated,especially the 70 th to 97 th amino acids,and the site that binded preferentially to atractyloside after molecular docking was the 96 th position(Glutamine),and this area would inhibit cell proliferation.CONCLUSION:BORIS-N terminal and atractyloside have an action area,and this segment has an important effect on cell proliferation,which is of great significance for the future screening of targeted drugs.