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

近年来，用于药物研究的蛋白质靶标的结晶学信息大大增加，甚至对于那些直到最近还被认为极难结晶的靶标，如跨膜受体和离子通道。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大幅提高。这使得复杂的药物设计方法和算法应用于复杂的靶标配体和相互作用的研究对制药研究人员来说是可行的。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，特别是帮助了解分子的3D性质及其与靶蛋白质的相互作用；然而，我们相信，在与平台无关的桌面应用程序中，需要越来越多的新工具来促进云资源的快速利用。我们打算在这一领域开展市场研究，以验证我们的信念，即一种新的软件应用程序，将云资源与用于基于结构的设计的传统交互图形用户界面相结合，将在新分子设计的速度和利用关于药物感兴趣的蛋白质靶标的现有晶体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，但我们强烈需要使用比我们目前的客户联系所能获得的更广泛的市场数据来验证我们的概念。

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.