Conformation-Stabilizing Small Molecule-Protein Interactions

在这个奖项，由化学部实验物理化学计划的支持，约翰T。加州大学圣巴巴拉分校的Gerig将与他的学生和博士后同事一起进行研究，研究小分子与肽的相互作用，以及这些小分子驱动肽构象变化的方式。 这项研究将通过核磁共振测量分子间NOE信号，再加上分子动力学模拟进行。 最终，这些研究中获得的数据可能会在延长肽类药物（如胰岛素）的保质期和使用酶的工业过程中得到应用。除了研究的更广泛的科学影响外，该研究还将在实验和理论研究相结合的项目中培养学生和博士后研究人员。 研究结果将在一个网站上向公众公布。

In this award, supported by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. John T. Gerig of the University of California, Santa Barbara will conduct research with his student and postdoctoral colleagues, studying the interactions of small molecules with peptides, and the ways in which these small molecules drive conformational changes in the peptides. The research will be carried out through nuclear magnetic resonance measurement of intermolecular NOE signals, coupled with molecular dynamics simulations. Ultimately, the data garnered in these studies may fing applications towards extending the shelf-life of peptide based drugs (e.g. insulin) and in industrial processes that employ enzymes.Besides the broader scientific impact of the research, the research will result in the training student and post-doctoral researchers in a combined experimental and theoretical research program. Results of the research will be made available to the public on a website.