DCTD Computer Support

DCTD 计算机支持

• 批准号: 7789117
• 负责人: LARRY ARTHUR
• 金额: $ 210万
• 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/7789117
• 关键词: DCTD; Computer; Support

The Developmental Therapeutics Program (DTP) is the group in NCI that supports the discovery and development of novel therapeutics for treating cancer. These can be either low molecular weight compounds or biological entities such as antibodies or virus vectors. The low molecular weight compounds can be either novel synthetic compounds or purified natural products. The aim of the drug discovery efforts is to identify promising therapeutic strategies, especially associated with novel mechanisms of biological action. The aim of the development efforts is to get the most promising strategies ready for a clinical trial. An additional role for DTP is to provide the cancer research community with as much of the data generated by these activities as possible. This involves generating and documenting data sets and making them available via web pages. The DTP Computer Center (DTPCC) provides computer support, including operations, technical support services, and software development, to the DTP, DCTD, NCI. The DTPCC provides services for many aspects of the DTP's information systems requirements, including data acquisition within the laboratories, data transfer to the Oracle Relational Database Management System (RDBMS), analysis and statistical evaluation, and web publication of experimental results. Computer support is provided for many functions of the DTP, including identifying and scheduling compounds to test, preparing and handling the compounds, performing the experiments, and analyzing experimental results for activity. The primary groups within the DTPCC are the Enterprise and Windows Server support groups, including support for Oracle, OpenVMS, Windows, HPUX and Linux-based servers; the Web Application Development Group, responsible for the creation and maintenance of program web pages and applications, as well as Java and Oracle development activities; the Legacy Applications Development Group, responsible for continued support and maintenance of core components of the existing DTP software infrastructure; the Workstation Support Group, responsible for end-user support of desktop applications; and the Target Structure based Drug Design Group (reported separately), providing expertise in rational drug design, protein modeling, and bioinformatics. The DTPCC hosts several web sites for the Division of Cancer Treatment and Diagnosis (DCTD). These include the DCTD site, the Cancer Diagnosis Program, and the Developmental Therapeutics program site. They will soon host new sites for the Translational Research and Clinical Trials Evaluation Programs. The DTPCC hosts many division initiatives. These include: ¿ Document management systems: Successfully installed, configured and deployed the Biblioscape reference management server for DTP. Configured and hosted a second web site for access to the DTP's Laserfiche document management database (https://pdsop.nci.nih.gov). ¿ Online-Rapid Access to Interventional Development (e-RAID): Added to the eRAID application a SEP committee review application. The SEP is now able to review all eRAID applications, committee documents, and reviewer comments on-line for each RAID cycle. ¿ Compound Submission System (CSS). This application was rewritten to remove the PKI certificate requirements for log in, report viewing, RAID applications, or compound testing submission. A new registration application was written that allows users to create and change their own passwords. One-Dose and In vivo Toxicity Data reports were added to the CSS. Completed MTA legal requirements update to the Compound Ordering System. The DTPCC also implements department initiatives such as: ¿ Enhanced laptop security. In compliance with NIH directives, the staff completed the encryption of all laptop computers under the custodianship of the DTPCC. This security measure prevents the loss or compromise of data derived from the DTP's enterprise Oracle database (completed July 2007). ¿ DST remediation. Completed daylight savings time (DST) remediation for all servers within the DTPComputer Center (41 servers), bringing servers into compliance with changes mandated by the Energy Policy Act of 2005. ¿ Federal Desktop Core Configuration(FDCC): The DTPCC played an instrumental role in implementing the OMB-mandated FDCC security settings. The Web Application Development Group developed and maintains a web-based application suite that functions as a computational tool for drug discovery. This tool is known as PILOT(Pharmacophore Identification and Lead Organization Tool) as a web. This chemoinformatic tool searches for common pharmacophores within a user-specified set of molecules. This effort is the result of a collaboration with the Target-Structure Based Design Group. The DTPCC also provides a Target-Structure Based Design Group (DPTCCTSBDDG). This group provides support to the Information Technology Branch, Developmental Therapeutics Program, Division of Cancer Treatment and Diagnosis, National Cancer Institute, in the area of molecular modeling, drug discovery, chemoinformatics, and software development. The majority of the work performed by this group consists of computational methods development and application to DTP-prioritized targets in collaboration with laboratories that are involved in the quantitative testing of lead compounds and the chemical synthesis of drug candidates. Cancer targets of interest include: multiple tubulin sites, CDK's, and recently, RSK protein and topoisomerases. The group has also been tasked with laboratory and computational support of the USAMRIID/NCI-DTP Joint Antibioterrorism Therapeutics Interagency Agreement (IAG). This project has focused on the development of therapeutics for certain Biothreat Level A and B agents that pose the greatest threat due to their infectiousness, relative ease of transmission, or high rate of mortality. Currently under investigation in the IAG are: Bacillus anthracis toxins, Botulinum neurotoxins, Ricinus communis or ¿ricin¿ toxin, Staphylococcal enterotoxins, and Filoviridae targets (Ebola and Marburg). The IAG began in March of 2001 and all of the staffing, procurement, and subcontract management have been executed through the TSBDDG. All of the data and techniques developed through the IAG efforts have been important for not only generating therapeutics to counter biological weapons, but have also resulted in more effective and efficient molecular modeling services for cancer researchers requesting NCI support with regard to drug design and development.

发展治疗计划 (DTP) 是 NCI 中支持发现和开发治疗癌症的新疗法的小组，这些疗法可以是低分子量化合物，也可以是抗体或病毒载体等生物实体，也可以是新的合成化合物或纯化的天然化合物。药物发现工作的目的是确定有前途的治疗策略，特别是与新的生物作用机制相关的策略。开发工作的目的是为临床试验做好准备。DTP 的另一个作用是。到为癌症研究界提供尽可能多的这些活动生成的数据，这涉及生成和记录数据集，并通过网页提供这些数据。DTP 计算机中心 (DTPCC) 提供计算机支持，包括操作和技术支持服务。以及软件开发，DTPCC 为 DTP 信息系统需求的许多方面提供服务，包括实验室内的数据采集、数据传输到 Oracle 关系数据库管理系统 (RDBMS)、分析和统计。为 DTP 的许多功能提供计算机支持，包括识别和安排要测试的化合物、制备和处理化合物、进行实验以及分析活性实验结果。 DTPCC 内的主要小组是企业和 Windows Server 支持小组，包括对 Oracle、OpenVMS、Windows、HPUX 和基于 Linux 的服务器的支持；Web 应用程序开发小组，负责程序网页和应用程序的创建和维护；以及 Java 和 Oracle 开发活动；遗留应用程序开发小组，负责现有 DTP 软件基础架构的核心组件的持续支持和维护；工作站支持小组，负责桌面应用程序和目标结构的最终用户支持；基于药物设计组（报道） ），提供合理药物设计、蛋白质建模和生物信息学方面的专业知识。 DTPCC 拥有多个癌症治疗和诊断部门 (DCTD) 网站，其中包括 DCTD 网站、癌症诊断项目和发展治疗项目网站。他们很快将拥有用于转化研究和临床试验评估的新网站。节目。 DTPCC 主持了许多部门倡议，其中包括： ¿文档管理系统：成功安装、配置和部署了 DTP 的 Biblioscape 参考管理服务器，配置并托管了第二个网站，用于访问 DTP 的 Laserfiche 文档管理数据库 (https://pdsop.nci.nih.gov)。 ¿在线快速访问介入开发 (e-RAID)：在 eRAID 应用程序中添加了 SEP 委员会审查申请表。SEP 现在能够在线审查每个 RAID 周期的所有 eRAID 应用程序、委员会文件和审查者评论。 ¿复合提交系统 (CSS) 已重写，以删除登录、报告查看、RAID 应用程序或复合测试提交的 PKI 证书要求，并编写了一个新的注册应用程序，允许用户创建和更改自己的密码。 - 剂量和体内毒性数据报告已添加到 CSS 中，完成了化合物订购系统的 MTA 法律要求更新。 DTPCC 还实施部门举措，例如： ¿增强笔记本电脑安全性。根据 NIH 指令，工作人员在 DTPCC 的监管下完成了对所有笔记本电脑的加密。这项安全措施可防止源自 DTP 企业 Oracle 数据库的数据丢失或泄露（2007 年 7 月完成）。 ¿ DST 修复。完成了 DTP 计算机中心内所有服务器（41 台服务器）的夏令时 (DST) 修复，使服务器符合 2005 年能源政策法案规定的变更。 ¿联邦桌面核心配置 (FDCC)：DTPCC 在实施 OMB 授权的 FDCC 安全设置方面发挥了重要作用。 网络应用程序开发小组开发并维护了一个基于网络的应用程序套件，该套件用作药物发现的计算工具，该工具被称为 PILOT（药效团识别和先导组织工具），该化学信息学工具在网络中搜索常见药效团。一组用户指定的分子。这项工作是与基于目标结构的设计小组合作的结果。 DTPCC 还设有一个基于目标结构的设计小组 (DPTCCTSBDDG)，该小组在分子建模、药物领域为国家癌症研究所癌症治疗和诊断部门发展治疗计划信息技术部门提供支持。该小组开展的大部分工作包括与参与先导化合物定量测试的实验室合作开发计算方法并将其应用于 DTP 优先目标。感兴趣的癌症靶点包括：多个微管蛋白位点、CDK 以及最近的 RSK 蛋白和拓扑异构酶。该小组还负责为 USAMRIID/NCI-DTP 联合反恐治疗机构间协议提供实验室和计算支持。 (IAG) 该项目的重点是开发针对某些生物威胁 A 级和 B 级病原体的治疗方法，这些病原体因其传染性、相对容易传播或高传播率而构成最大威胁。目前 IAG 正在调查的有：炭疽杆菌毒素、肉毒杆菌神经毒素、蓖麻毒素或 ¿蓖麻毒素??毒素、葡萄球菌肠毒素和丝状病毒目标（埃博拉病毒和马尔堡病毒） IAG 于 2001 年 3 月开始，所有人员配置、采购和分包管理均通过 TSBDDG 执行。所有数据和技术均通过 IAG 的努力开发。不仅对于产生对抗生物武器的治疗方法很重要，而且还为请求 NCI 支持的癌症研究人员提供了更有效和高效的分子建模服务 药物设计和开发。