Market research to validate the commercial potential for a novel application that connects a multi-platform GUI to cloud-based infrastructure, to enable the rational structurebased design of new compounds for pharmaceutical R&D

市场研究旨在验证将多平台 GUI 连接到基于云的基础设施的新颖应用的商业潜力，从而实现药物 R 新化合物的合理结构设计

• 批准号: 700618
• 金额: $ 3.19万
• 依托单位: CRESSET BIOMOLECULAR DISCOVERY LIMITED
• 依托单位国家: 英国
• 项目类别: GRD Proof of Market
• 财政年份: 2015
• 资助国家: 英国
• 起止时间: 2015 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=700618
• 关键词: Market; research; validate; commercial; potential

The availability of crystallographic information for protein targets of pharmaceutical interesthas dramatically increased in the recent years, even for those targets, such as Trans-membraneReceptors and Ion Channels, which until recently were considered extremely hard tocrystallise. The availability and cost of high-performing computing through cloud-basedinfrastructure has also dramatically improved in the recent years. This has made theapplication of complex drug design methods and algorithms to the study of complex targetligandinteractions accessible to pharmaceutical researchers.Cresset have an existing suite of software tools aimed at helping both computational andmedicinal chemists with the design and synthesis of molecules, particularly helping with theunderstanding of the 3D properties of the molecules and their interactions with target proteins;however it is our belief that there is an increasing need for new tools to facilitate a rapidutilization of cloud-resources in platform-independent desktop applications.We intend to carry out market research in this area to validate our belief that a new softwareapplication, that integrates cloud resources with a traditional interactive GUI for structurebaseddesign, will provide a paradigm shift in the speed of new molecule design and in theexploitation of available crystallographic information on protein targets of pharmaceuticalinterest.We believe there is a significant worldwide market opportunity for such a tool, but westrongly need to validate our concept with broader market data than we have been able toaccess from our current customer contacts.

近年来，制药领域蛋白质靶标的晶体学信息的可用性急剧增加，甚至对于跨膜受体和离子通道等那些直到最近还被认为极难结晶的靶标也是如此。近年来，通过基于云的基础设施实现高性能计算的可用性和成本也得到了显着改善。这使得药物研究人员可以应用复杂的药物设计方法和算法来研究复杂的靶配体相互作用。Cresset 拥有一套现有的软件工具，旨在帮助计算和药物化学家设计和合成分子，特别是帮助理解分子的 3D 特性及其与靶蛋白的相互作用；然而，我们相信，存在一种 对新工具的需求不断增加，以促进独立于平台的桌面应用程序中云资源的快速利用。我们打算在这一领域进行市场研究，以验证我们的信念，即一种新的软件应用程序将云资源与传统的交互式 GUI 相结合以进行基于结构的设计，将在新分子设计的速度和利用蛋白质靶标的可用晶体学信息方面提供范式转变。 我们相信这种工具在全球范围内有巨大的市场机会，但我们强烈需要用比我们当前客户联系所获得的更广泛的市场数据来验证我们的概念。