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CAREER: Aqueous Conformations of Organic Molecules, Functional by Design

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
依托单位国家:
美国
项目类别:
Continuing Grant
财政年份:
1997
资助国家:
美国
项目状态:
已结题
起止时间:
1997-05-01 至 2002-04-30

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中文摘要
翻译
Cammers-Goodwin教授的研究集中在三个不同的领域, 分子结构的表现形式:分子识别,π堆积 和二级溶液结构。 磷酸盐与焦磷酸 通过与胍基吲哚的相互作用检查识别 雅阁合成的衍生物 参数,以最大限度地提高主客体氢键和静电 交互. 取代基的系统变化,旨在实现 一系列苄基中的富电子和贫电子芳基部分 联苯用于确定通过PI实现的总体稳定性。 在流体溶液中堆积。 脱羧反应 羧基苯并异恶唑被用来确定氢的作用 在螺旋蛋白质结构的稳定中的键合, 三氟乙醇 教育活动包括发展一个 跨学科生物化学课程和一门课程, 基于蛋白质晶体的分子模拟药物设计 结构化数据,并通过社区外展计划,辅导和 辅导弱势青少年 有了这个职业奖,有机动力学计划支持 研究教授亚瑟卡默斯古德温的系 在肯塔基州大学读化学。 Cammers-Goodwin教授 研究地址,通过模型系统的研究, 生物分子和离子之间的相互作用及其影响因素 决定了生物分子的三维结构, 溶液 通过专注于相对较小的模型化合物, 通常复杂的生物分子,关于特定的 测试控制天然分子形式的因素。 卡默斯-古德温教授的教育活动包括开发 生物化学课程和生物化学课程的跨学科课程 药物合成,并通过社区中心,指导 少数民族高中生。
英文摘要
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.
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Biomimetic Conformational Motifs for Practical Molecular Recognition
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