CAREER: Aqueous Conformations of Organic Molecules, Functional by Design

职业：有机分子的水相构象，功能性设计

• 批准号: 9702287
• 负责人: Arthur Cammers
• 金额: $ 32.5万
• 依托单位: University of Kentucky Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-05-01 至 2002-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9702287&HistoricalAwards=false
• 关键词: CAREER; Aqueous; Conformations; Organic; Molecules

Professor Cammers-Goodwin's research focuses on three different manifestations of molecular structure: molecular recognition, pi stacking and secondary solution structure. Phosphate and pyrophosphate recognition is examined through interactions with guanidinoindole derivatives synthesized in accord with computer-aided molecular design parameters to maximize host-guest hydrogen bonding and electrostatic interactions. A systematic variation of substituents designed to achieve both electron-rich and electron-poor aryl moieties in a series of benzyl biphenyls is utilized to determine overall stability achieved through pi stacking in fluid solution. The decarboxylation of a carboxybenzisoxazole is exploited to determine the role of hydrogen bonding in the stabilization of helical protein structures by trifluoroethanol. Educational activities include developing an interdisciplinary biological chemistry course and a course that targets drug design through molecular modeling based on available protein crystal structure data, and through a community outreach program, tutoring and mentoring disadvantaged teenagers. With this CAREER award, the Organic Dynamics Program supports the research of Professor Arthur Cammers-Goodwin of the Department of Chemistry at the University of Kentucky. Professor Cammers-Goodwin's research addresses, through study of model systems, the nature of the interaction between biological molecules and ions and the factors dictating the three-dimensional structure of biological molecules in solution. By focusing on comparatively small model compounds in place of the often complex biological molecules, hypotheses regarding specific factors governing the form of the natural molecules are tested. Professor Cammers-Goodwin's educational activities include developing an interdisciplinary course on biological chemistry course and a course on pharmaceutical synthesis, and through a community center, mentoring minority high school students.

Cammers-Goodwin教授的研究重点是分子结构的三种不同表现形式：分子识别、π堆积和二级溶液结构。 通过与根据计算机辅助分子设计参数合成的胍基吲哚衍生物的相互作用来检查磷酸盐和焦磷酸盐的识别，以最大化主客体氢键和静电相互作用。 利用取代基的系统变化来实现一系列苄基联苯中的富电子和缺电子芳基部分，以确定通过流体溶液中的π堆积实现的总体稳定性。 利用羧基苯并异恶唑的脱羧作用来确定氢键在三氟乙醇稳定螺旋蛋白质结构中的作用。 教育活动包括开发一门跨学科生物化学课程和一门通过基于现有蛋白质晶体结构数据的分子建模来设计药物的课程，以及通过社区外展计划辅导和指导弱势青少年。 凭借这一职业奖，有机动力学项目支持肯塔基大学化学系 Arthur Cammers-Goodwin 教授的研究。 卡默斯-古德温教授的研究通过对模型系统的研究，探讨了生物分子和离子之间相互作用的本质以及决定溶液中生物分子三维结构的因素。 通过关注相对较小的模型化合物来代替通常复杂的生物分子，测试了有关控制天然分子形式的特定因素的假设。 卡默斯-古德温教授的教育活动包括开发生物化学跨学科课程和药物合成课程，并通过社区中心指导少数族裔高中生。