PFI-RP: Organic Photoredox Catalysts for Improving Commercial Pharmaceutical Production

这一创新-研究伙伴关系(PFI-RP)项目更广泛的影响/商业潜力是建立一种新技术，使制药业能够加快药物发现和提高制造能力。这项技术有助于获得新的化学反应性，这将增强合成药物产品的能力，同时还允许更温和和更安全的反应条件。这项技术对药物合成产生有益影响的能力将得到确认和开发，最终将为快速和经济的药物发现和药物制造提供必要的方法。这项工作将加强对利用光能驱动化学变化的科学理解。通过这项工作，将通过这一突破性化学技术的商业化来满足社会对新的和负担得起的药物的需求。一项跨越单一药物专利有效期的催化剂技术具有超过1亿美元的商业潜力。这一合作努力还通过多学科努力支持对学生研究人员的培训和教育。学生研究人员将接触到工业研究环境和流程以及商业化概念，这将有助于为成为未来创新和创业领域的领导者奠定更坚实的基础。拟议的项目将建立一种新的催化剂技术，用于在医学上重要的化学转化中减少芳烃。催化反应通常需要苛刻的反应条件或不可持续的、昂贵的、有毒的贵金属配合物。该项目将开发一类新的有机分子作为催化剂，利用光能在温和的反应条件下进行反应。这个团队将使用计算化学、机器学习和人工智能的组合来识别改进的催化剂设计和发现新的化学反应。具体地说，该团队将建立新的化学合成能力，这些能力在很大程度上是制药业开发不足的。成功地实现这项工作的目标将导致新的光氧化还原催化剂和新的化学反应性的发现。克服这项工作的技术挑战将加速光氧化还原催化在制药和化学工业以及学术界的采用。此外，该项目将扩展人工智能和机器学习，以开发加速催化剂和反应发现的预测模型。最后，将开发扩大光氧化还原催化反应的能力，以促进整个更广泛的化学界的反应效率。这一奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

The broader impact/commercial potential of this Partnerships for Innovation – Research Partnerships (PFI-RP) project is the establishment of a new technology enabling the pharmaceutical industry to expedite drug discovery and improve manufacturing capabilities. This technology facilitates access to new chemical reactivity that will provide enhanced abilities to synthesize pharmaceutical products while also allowing milder and safer reaction conditions. The capabilities of this technology to beneficially impact pharmaceutical syntheses will be identified and developed, ultimately providing a needed methodology for rapid and economical drug discovery and pharmaceutical manufacturing. This work will enhance the scientific understanding of using energy from light to drive chemical transformations. Through this work, the societal need for new and affordable medicines will be addressed through commercialization of this breakthrough chemical technology. A catalyst technology implemented across the patent life of a single drug has a commercial potential exceeding $100M. This collaborative effort also supports the training and education of student researchers through a multidisciplinary effort. Student researchers will be exposed to industrial research environments and processes and commercialization concepts that will help build a stronger foundation for becoming future leaders in innovation and entrepreneurship. The proposed project will establish a new catalyst technology for the reduction of arenes in medicinally important, chemical transformations. Catalysis reactions often require harsh reaction conditions or unsustainable, expensive, and toxic precious metal complexes. This project will develop a new class of organic molecules as catalysts that use light energy to perform reactions under mild reaction conditions. This team will use a combination of computational chemistry, machine learning, and artificial intelligence to identify improved catalyst designs and discovery of new chemical reactions. Specifically, the team will establish new capabilities for chemical synthesis that have been largely underdeveloped by the pharmaceutical industry. Success in achieving the goals of this work will result in new photoredox catalysts and the discovery of new chemical reactivities. Overcoming the technical challenges of this work will accelerate the adoption of photoredox catalysis in the pharma and chemical industries and academia. Furthermore, this project will extend artificial intelligence and machine learning to develop predictive models for accelerated catalyst and reaction discovery. Lastly, capabilities to scale photoredox catalyzed reactions will be developed to promote reaction efficiency throughout the broader chemical community.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.