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，药物感兴趣的蛋白质靶点的晶体学信息的可用性急剧增加，甚至对于那些靶点，如跨膜受体和离子通道，直到最近才被认为是极难结晶的。近年来，通过基于云的基础设施实现的高性能计算的可用性和成本也得到了显著改善。这使得复杂的药物设计方法和算法应用于研究复杂的靶向配体相互作用的药物研究人员。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，有一个新的工具，以促进平台无关的桌面应用程序中的云资源的快速利用的需求越来越大。我们打算在这一领域进行市场调查，以验证我们的信念，一个新的软件应用程序，集成云资源与传统的交互式GUI的结构化设计，将为新分子设计的速度和对具有药用价值的蛋白质靶点的可用晶体学信息的利用提供范式转变。我们相信这样一种工具在全球范围内有着巨大的市场机会，但我们强烈需要用比我们目前的客户接触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.