RUI: Rational design of cysteinyl peptide ligands as chelators of mercury (II)

化学系化学合成（SYN）项目的该奖项支持温斯顿-塞勒姆州立大学的Maria Ngu-Schwemlein、John Merle和Sayo Fakayode教授对有毒汞（II）离子肽衍生结合剂的合理设计和合成进行基础研究。评估某些含半胱氨酸肽的汞（II）结合亲和力将揭示在评估其相互作用模式时重要的选择性和热力学因素。一些半胱氨酸肽配体的化学结构与其对汞（II）的结合活性之间的相关性将通过微热测量来探索，结合特异性的鉴定将通过理论计算和固体研究相结合来进行。此外，这些化合物与一些生物分子的分子相互作用将通过光谱测量来监测。选择性和有效的汞（II）结合剂对于开发用于汞中毒螯合治疗的汞（II）捕集剂非常有用。这项跨学科研究将改善温斯顿-塞勒姆州立大学化学系的研究环境，为本科生进入高级学位课程和科学职业做好准备，这些本科生在这所历史悠久的黑人大学中主要是代表性不足的群体。这项研究还可为环境和健康科学的后续研究提供基础，例如开发用于监测环境和生物样品中有毒和有害金属离子的微传感器。此外，本研究可能为未来转基因植物修复土壤或流域汞污染提供有用的肽。

This award in the Chemical Synthesis (SYN) program in the Division of Chemistry supports work by Professors Maria Ngu-Schwemlein, John Merle, and Sayo Fakayode at Winston-Salem State University to carry out fundamental studies on the rational design and synthesis of peptide derived binding agents for the toxic mercury(II) ion. Evaluating the mercury(II) binding affinity of some cysteine-containing peptides will reveal the selectivity and thermodynamic factors that are important in assessing their mode(s) of interaction. Correlations between the chemical structures of some cysteinyl peptide ligands and their binding activity for mercury(II) will be explored by microcalorimetric measurements, and identification of the binding specificity will be conducted by a combination of theoretical calculations and solid state studies. Additionally, the molecular interactions of these compounds with some biological molecules will be monitored by spectroscopic measurements. Selective and effective mercury(II) binding agents are extremely useful for the development of mercury(II) trapping agents for chelation therapy of mercury poisoning.This interdisciplinary research study will enhance the research environment of the chemistry department at Winston-Salem State University in preparing undergraduates, primarily underrepresented groups at this historically black institution, for entry into advanced degree programs and careers in science. This research may also afford a basis for subsequent research in the environmental and health sciences such as the development of microsensors for monitoring toxic and harmful metal ions in environmental and biological samples. Additionally, this research may provide useful peptides for future application in genetically engineered plants that are useful for phytoremediation of mercury(II) pollution in soil or watersheds.