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

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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.