The Synthesis, Characterization, and Computational Study of Potential Antibiotic/Antitumor Spiroisoxazolines

HRD-0401730潜在抗生素/抗肿瘤螺异恶唑啉的合成、表征和计算研究杰克逊州立大学PI：Jerzy Leszczynski杰克逊州立大学的科学家将进行研究，探索具有潜在抗肿瘤和抗生素应用的化合物的合成。 美国国家科学基金会支持的项目提供了一种手段，为螺异恶唑啉的建设和探索的合成方法，分子设计和机制的洞察力的调查。由于许多螺异恶唑啉具有抗肿瘤和抗生素活性，因此需要一种可以容纳各种底物的简洁合成方法，以探讨负责所观察到的生物活性的电子和原子性质。实验和理论技术将被应用到拟议的调查。该项目的国际组成部分提供参与博士学位。在波兰的弗罗茨瓦夫技术大学，学生们有机会在分子建模的理论和应用方面进行研究和培训。分子模拟将计算化学、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起来，该项目的智力价值包括对一系列螺异恶唑啉的新实验和理论研究的整合，以及对开发具有所需药理活性的新活性化合物所需的知识基础的贡献。该项目有可能影响化学的有机和计算领域，因为将采用的合成和理论应用。该项目活动产生的更广泛影响包括，通过招聘和培训非裔美国人博士，加强了代表性不足的少数群体对科学和技术学科和劳动力的参与。在计算化学前沿研究的学生。

HRD- 0401730Synthesis, Characterization and Computational Study of Potential Antibiotic /Antitumor SpirosoxazolinesJackson State UniversityPI: Jerzy LeszczynskiJackson State University scientists will conduct research to explore the synthesis of compounds with potential anti-tumor and anti-biotic applications. The National Science Foundation supported project provides a means for the investigation of the synthetic methodology, molecular design, and mechanistic insight for spiroisoxazoline construction and exploration. Since a number of spiroisoxazolines have both antitumor and antibiotic activities, a concise synthetic method that can accommodate a variety of substrates is needed in order to probe into the electronic and atomic properties responsible for the observed biological activity. Both experimental and theoretical techniques will be applied to the proposed investigations. An international component of the project provides participating Ph.D. students with research opportunities and training in theory and applications of molecular modeling at the Technical University of Wroclaw, Poland. Molecular modeling links computational chemistry, molecular biology, biophysics, solid-state physics, materials science, and molecular graphics.Intellectual merits of the project encompass the integration of novel experimental and theoretical studies on series of spiroisoxazolines and contributions to the knowledge base required for the development of new active compounds that exhibit desired pharmacological activity. This project has the potential to impact both the organic and computational fields of chemistry because of the synthetic and theoretical applications that will be employed. Broader impacts resulting from the project's activities include enhanced participation of underrepresented minorities in the science and technology disciplines and workforce through the recruitment and training of African American Ph.D. students in cutting edge research within computational chemistry.