Comp IT Program for Facilitating Drug Discovery & Development

促进药物发现的 Comp IT 计划

• 批准号: 7979017
• 负责人: LARRY ARTHUR
• 金额: $ 130万
• 依托单位: SCIENCE APPLICATIONS INTERNATIONAL CORP
• 依托单位国家: 美国
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-09-26 至 2018-09-25
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7979017
• 关键词: Comp; Program; Facilitating; Drug; Discovery

The discovery and development of new drugs to treat cancer and other diseases has been more reliant on information technology to collect and analyze data in a more efficient manner. This is due to the amount of data generated in one experiment today as compared to the past. When the NCI60 screen was implemented in 96 well plates 20 years ago, it was considered state of the art. Today the NCI60 generates 20,800 data points per week. In comparison, an ultra high throughput screening (uHTS) assay conducted in 1536 well plates can generate 2.2 million data points in that same period of time. With the advent of new pharmacology assays to evaluate pharmacodynamics in addition to pharmacokinetics, a simple efficacy experiment that did not take any samples from the tumor or normal tissues/fluids for analysis a few years ago, now can take up to 4000 samples that need to be analyzed in multiple assays and multiple sites. This not only creates a storage and handling issue, but also one for analysis since one is attempting to draw correlations from as many as ten different endpoints in one experiment. To solve these issues and to accelerate the implementation and integration of new IT software for data acquisition, storage and evaluation for drug discovery and development, in consultation with CaBIG, DCTD has selected CambridgeSoft, a life science enterprise solution for data and knowledge management. As a result, CambridgeSoft, modified for compatibility with CaBIG, is becoming the primary software for the collection of all data generated on Chemical Biology Consortium (CBC) projects that are conducted within the NCI, at SAIC-F, at various NCI contractors and with outside consortium members. Implementation is slow due to the limited DCTD/DTP IT resources to enable the collection of different data streams from CBC members and DCTD contractors. Our goal is to integrate additional software that will facilitate the analysis of this data from multiple streams such as Simulations Plus, Spotfire, Prous/Integrity, GVK-Bio Target and Biomarker Databases and FDA in silico toxicity prediction software, to name a few. These software packages will also be integrated to the extent possible with the Microsoft Project Enterprise server which the Project Management Office of SAIC uses to manage drug discovery and development projects for DCTD. The solution is to purchase/license new commercial off the shelf (COTS) software as indicated above and award new IT contracts or expand existing contracts through SAIC to speed up the integration process.

治疗癌症和其他疾病的新药的发现和开发更加依赖信息技术来更有效地收集和分析数据。这是因为与过去相比，今天的一项实验生成的数据量更大。 20 年前，当 NCI60 屏幕应用于 96 孔板时，它被认为是最先进的。如今，NCI60 每周生成 20,800 个数据点。相比之下，在 1536 孔板中进行的超高通量筛选 (uHTS) 测定可以在同一时间段内生成 220 万个数据点。随着除了药代动力学之外还评估药效学的新药理学测定的出现，几年前不需要从肿瘤或正常组织/体液中采集任何样本进行分析的简单药效实验，现在可以采集多达 4000 个样本，这些样本需要在多个测定和多个地点进行分析。这不仅产生了存储和处理问题，而且还产生了分析问题，因为人们试图在一项实验中从多达十个不同的端点中提取相关性。为了解决这些问题并加速用于药物发现和开发的数据采集、存储和评估的新 IT 软件的实施和集成，在与 CaBIG 协商后，DCTD 选择了 CambridgeSoft，这是一种用于数据和知识管理的生命科学企业解决方案。因此，经过修改以与 CaBIG 兼容的 CambridgeSoft 正在成为收集化学生物学联盟 (CBC) 项目生成的所有数据的主要软件，这些项目在 NCI、SAIC-F、各个 NCI 承包商以及外部财团成员。由于 DCTD/DTP IT 资源有限，无法从 CBC 成员和 DCTD 承包商收集不同的数据流，因此实施速度缓慢。我们的目标是集成其他软件，以促进对来自多个流的数据进行分析，例如Simulations Plus、Spotfire、Prous/Integrity、GVK-Bio Target和生物标志物数据库以及FDA in silico毒性预测软件等。这些软件包还将尽可能与 Microsoft Project Enterprise 服务器集成，SAIC 项目管理办公室使用该服务器来管理 DCTD 的药物发现和开发项目。 解决方案是购买/许可新的商业现成 (COTS) 软件（如上所述），并通过 SAIC 授予新的 IT 合同或扩展现有合同，以加快整合过程。