Development of Collaborative Multidisciplinary Experimental-Computational Approach for Design, Synthesis and Characterization of Novel Compounds with Potential Biological Activitie

开发具有潜在生物活性的新型化合物的设计、合成和表征的协作多学科实验计算方法

基本信息

  • 批准号:
    0734645
  • 负责人:
  • 金额:
    $ 100.57万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2007
  • 资助国家:
    美国
  • 起止时间:
    2007-10-01 至 2011-09-30
  • 项目状态:
    已结题

项目摘要

This HBCU-RISE project will focus on the synthesis of the anti neoplastic and antibiotic natural products, 11-deoxyfistularin-3 and psammaplysin A, which contain spiroisoxazoline and spiro-isoxazoline moieties, respectively, as the central ring core. The research will incorporate aqueous asymmetric Lewis acid promoted 1,3-dipolar cycloaddition reactions, and oxonium ion mediated cyclizations as the featured synthetic methodologies for the construction of the aforementioned natural products. Jackson State University's synthetic organic and computational chemistry groups will also work together to understand the mechanistic details of the aqueous achiral and asymmetric Lewis acid promoted reactions in order to increase isolated yields and asymmetric induction through designing better Lewis acids and asymmetric ligands. This proposal will broaden the participation of African-American students and increase number of the African-American Ph.D.s in the rapidly developing field of molecular modeling, which links computational chemistry, molecular biology, biophysics, solid state physics, materials science, and molecular graphics.
这项HBCU-RISE项目将专注于合成抗肿瘤和抗生素的天然产物11-脱氧瘘菌素-3和沙打菌素A,它们分别含有螺异恶唑啉和螺异恶唑啉部分作为中心环核。这项研究将把水相不对称路易斯酸促进的1,3-偶极环加成反应和氧离子介导的环合反应作为上述天然产物的特色合成方法。杰克逊州立大学的合成有机化学和计算化学小组还将共同努力,了解水中非手性和不对称Lewis酸促进反应的机理细节,以便通过设计更好的Lewis酸和不对称配体来增加分离产率和不对称诱导。这项提议将扩大非洲裔美国学生的参与,并增加非洲裔美国人在快速发展的分子建模领域的博士人数,该领域将计算化学、分子生物学、生物物理学、固体物理学、材料科学和分子图形学联系在一起。

项目成果

期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)

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Jerzy Leszczynski其他文献

QSPR study on solubility of fullerene C<sub>60</sub> in organic solvents using optimal descriptors calculated with SMILES
  • DOI:
    10.1016/j.cplett.2007.04.094
  • 发表时间:
    2007-06-13
  • 期刊:
  • 影响因子:
  • 作者:
    Andrey A. Toropov;Danuta Leszczynska;Jerzy Leszczynski
  • 通讯作者:
    Jerzy Leszczynski
Additive SMILES based optimal descriptors: QSPR modeling of fullerene C<sub>60</sub> solubility in organic solvents
  • DOI:
    10.1016/j.cplett.2007.07.024
  • 发表时间:
    2007-08-17
  • 期刊:
  • 影响因子:
  • 作者:
    Andrey A. Toropov;Bakhtiyor F. Rasulev;Danuta Leszczynska;Jerzy Leszczynski
  • 通讯作者:
    Jerzy Leszczynski
The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility
  • DOI:
    10.1016/j.cplett.2012.05.073
  • 发表时间:
    2012-07-23
  • 期刊:
  • 影响因子:
  • 作者:
    Alla P. Toropova;Andrey A. Toropov;Emilio Benfenati;Giuseppina Gini;Danuta Leszczynska;Jerzy Leszczynski
  • 通讯作者:
    Jerzy Leszczynski
Hydration of DNA Bases and Compounds Containing Small Rings—A Model for Interactions of the Ricin Toxin A-Chain. A Theoretical Ab Initio Study
  • DOI:
    10.1023/a:1016644509369
  • 发表时间:
    2001-01-01
  • 期刊:
  • 影响因子:
    2.200
  • 作者:
    Nurbosyn U. Zhanpeisov;Jerzy Leszczynski
  • 通讯作者:
    Jerzy Leszczynski
Practical Aspects of Computational Chemistry IV
计算化学的实用方面 IV
  • DOI:
    10.1007/978-90-481-2687-3
  • 发表时间:
    2012
  • 期刊:
  • 影响因子:
    4.8
  • 作者:
    Jerzy Leszczynski;M.K Shukla
  • 通讯作者:
    M.K Shukla

Jerzy Leszczynski的其他文献

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{{ truncateString('Jerzy Leszczynski', 18)}}的其他基金

RII Track-2 FEC. Collaborative Research and Education on Synergized Transformational Solar Chemical Looping and Photo-Ultrasonic Renewable Biomass Refinery
RII Track-2 FEC。
  • 批准号:
    1632899
  • 财政年份:
    2016
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Cooperative Agreement
Phase II CREST Interdisciplinary Nanotoxicity Center
二期CREST跨学科纳米毒性中心
  • 批准号:
    1547754
  • 财政年份:
    2016
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Continuing Grant
Individual Nomination
个人提名
  • 批准号:
    0731587
  • 财政年份:
    2009
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Standard Grant
Interdisciplinary Nanotoxicity Center
跨学科纳米毒性中心
  • 批准号:
    0833178
  • 财政年份:
    2008
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Cooperative Agreement
EXP-LA: Collaborative Research: Exploiting Geometry and Chemistry at the Nanoscale to Selectively Preconcentrate Explosive Molecules
EXP-LA:合作研究:利用纳米尺度的几何和化学选择性地预浓缩爆炸分子
  • 批准号:
    0730186
  • 财政年份:
    2007
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Standard Grant
The Synthesis, Characterization, and Computational Study of Potential Antibiotic/Antitumor Spiroisoxazolines
潜在抗生素/抗肿瘤螺异恶唑啉的合成、表征和计算研究
  • 批准号:
    0401730
  • 财政年份:
    2004
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Standard Grant
Joint U.S.-Polish-Czech Workshop on Modeling Molecular Materials
美国-波兰-捷克分子材料建模联合研讨会
  • 批准号:
    0427419
  • 财政年份:
    2004
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Standard Grant
Computational Center for Molecular Structure and Interactions
分子结构与相互作用计算中心
  • 批准号:
    0318519
  • 财政年份:
    2003
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Cooperative Agreement
U.S.-Polish-Czech Workshop on Modeling Interactions in Biomolecules
美国-波兰-捷克生物分子相互作用建模研讨会
  • 批准号:
    0327005
  • 财政年份:
    2003
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Standard Grant
Computational Center for Molecular Structure and Interactions
分子结构与相互作用计算中心
  • 批准号:
    9805465
  • 财政年份:
    1998
  • 资助金额:
    $ 100.57万
  • 项目类别:
    Cooperative Agreement

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  • 批准号:
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