计算机辅助CDC25B抑制剂的设计
omputer aided CDC25B inhibitor design
目的：癌症作为超过心脏病的头号死亡因素,给人类带来了巨大威胁。虽然每种癌症可能由不同的原因引起并具有不同的症状，但是共同特征是，癌症发生时细胞周期混乱和快速的不可控制的增殖，而细胞增殖又需要细胞分裂周期25蛋白磷酸酯酶B(CDC25B)的参与。方法：利用Schrodinger Suite2009中的Glide模块对druglike数据库中10万个化合物进行高通量虚拟筛选。结果：本研究通过对所zinc-drug-like小分子化合物库进行虚拟筛选，得到3个CDC25B抑制剂，分子对接初步证明其可以抑制CDC25B，具有理论活性。结论：本论文的工作为进一步研究新型抗癌先导化合物奠定了基础。
object：Since 90 years ago, as the first factor of death surpassing heart disease,cancer has brought much threaton to human. Though it comes in many forms, their common theme is a disordered cell cycle, which is characterized by rapid and uncontrolled cell growth. Cdc25 (cell division cycle 25) phosphatases are cell cycle control proteins and their overexpression is closely linked with many kinds of cancer.Methods:The small molecule database of drug-like was high-throughput screened by Glide of Schrodinger Suite 2009.Results：3 compounds were discovered by high throughput virtual screening.Conclusion:It is anticipated that the new inhibitors may become potential drug hits for treating cancer.
吴景卫、王润玲、王树青
肿瘤学药学生物科学研究方法、生物科学研究技术
癌症25B抑制剂计算机辅助药物设计
cancerCDC25B inhibitorscomputer aided drug design
吴景卫,王润玲,王树青.计算机辅助CDC25B抑制剂的设计[EB/OL].(2016-01-29)[2025-07-18].http://www.paper.edu.cn/releasepaper/content/201601-566.点此复制
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