以判断这一在无运动时看似正确的匹配是否实际上偏离了基准(即,该匹配在动态下是否正确)。
"Tiny little shifts can change these things," Rudolph said.
"微小的变化就可以改变这些东西, " Rudolph说。
The interdisciplinary group's Biochemistry paper, whose first authors were Rudolph's graduate student Sohn and Yang's graduate student Parks, confirmed the calculations with extensive biochemical evaluations of the two hot spot residues the study identified, one residue on the phosphatase and the other on the kinase. Both hot spots are located some distance from the molecules' active sites, Rudolph noted.
跨学科研究小组的生物化学(Biochemistry)论文,其第一作者分别为Rudolph的研究生Sohn和Yang的研究生Parks,证实了该研究发现的两个热点残基的计算与大量生化评价,其中一个残基在磷酸酶上,另一个在激酶上。Rudolph指出,这两个热点与分子活性位点都保持一定距离。
Overexpression of the Cdc25 group of enzymes has been associated with the development of numerous cancers. But "drug discovery targeting these phosphatases has been hampered by lack of structural information about how Cdc25s interact with their native protein substrates," the authors wrote in their Biochemistry paper.
Cdc25组酶的过量表达,与诸多癌症的发生相关。但是,"因缺乏关于cdc25s和它的天然地物相互作用的结构信息,使得寻找靶向这些磷酸酶的药物受到阻碍,"。这是作者在其生物化学论文中所写的。
With the study's results in hand, scientists can now search for potential inhibiting drug molecules shaped so they can overlap -- and thus interfere -- with the active sites as well as outlying hot spots the research identified, Rudolph said.
基于该项研究结果,科学家们现在可以检索潜在的药物抑制分子,使他们能够与活性位点重叠,从而干预活性位点及该研究发现的远离中心的热点,Rudolph说。
He credited the study's success to the power of interdisciplinary scientific collaborations, noting that he and Edelsbrunner initially met "by coincidence" in Duke's Levine Science Research Center building, where they both have separate labs in separate wings.
他把该项研究的成功归功于跨学科的科研合作,值得一提的是他和Edelsbrunner最初因"巧合"在杜克大学的莱温科学研究中心相识,他们在各自的系都有单独的实验室。 |