DCTD Computer Support

DCTD 计算机支持

• 批准号: 8844917
• 负责人: DAVID HEIMBROOK
• 金额: $ 276.8万
• 依托单位: LEIDOS BIOMEDICAL RESEARCH, INC.
• 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/8844917
• 关键词: ABCC1 gene; Affect; Agreement; Amines; Animals; Anthrax disease; Antibodies; Area; Bacillus anthracis; Binding; Biochemical; Bioinformatics; Biological; Biological Factors; Bontoxilysin; Boston; Caliber; Chemical Structure; Chemicals; Clinical Trials; Colchicine; Collaborations; Colon Carcinoma; Communities; Computer Analysis; Computer Simulation; Computer software; Computers; Computing Methodologies; Critical Pathways; Data; Data Base Management; Data Compromising; Data Reporting; Data Set; Database Management Systems; Databases; Development; Developmental Therapeutics Program; Division of Cancer Treatment and Diagnosis; Dose; Drug Design; Ebola virus; Evaluation; Exercise; Filoviridae; Filovirus; Fingerprint; Frequencies; Funding; Generations; Housing; Information Systems; Information Technology; Internet; Investigation; Java; Joints; Laboratories; Lead; Legal; Libraries; Ligands; Light; Linux; Maintenance; Malignant Neoplasms; Malignant neoplasm of lung; Metalloproteases; Methods; Microtubules; Mining; Modeling; Molecular Models; Molecular Target; Molecular Weight; Monitor; Monkeypox virus; Mus; National Cancer Institute; National Institute of Allergy and Infectious Disease; Neurons; Online Systems; Pathogenesis; Performance; Play; Policies; Positioning Attribute; Prodrugs; Program Evaluation; Proteins; Protocols documentation; Publications; Published Comment; Publishing; Relative (related person); Reporting; Research Infrastructure; Research Personnel; Research Project Grants; Research Proposals; Resources; Review Committee; Ribosomal Protein S6 Kinase; Ricin; Ricinus communis; Rift Valley fever virus; Role; Savings; Schedule; Scientist; Secure; Security; Security Measures; Series; Serotyping; Services; Shapes; Site; Smallpox Viruses; Source; Specific qualifier value; Structure; Support Groups; Survival Rate; System; Systems Analysis; Techniques; Testing; Therapeutic; Time; Topoisomerase; Toxic effect; Toxin; Translational Research; Tubulin; United States National Institutes of Health; Universities; Update; Virginia; Virus; Work; Writing; Zinc; anthrax lethal factor; anthrax protective factor; anticancer research; antimicrobial; base; biothreat; botulinum; cancer cell; cancer diagnosis; cancer therapy; chemical genetics; chemical synthesis; computer center; computerized tools; data acquisition; design; drug candidate; drug development; drug discovery; encryption; flexibility; heuristics; improved; in vivo; inhibitor/antagonist; interest; laptop; method development; molecular modeling; mortality; mouse model; novel; novel therapeutics; operation; pharmacophore; prevent; programs; remediation; repository; research and development; research study; response; ribosomal protein S6 kinase 2; screening; small molecule; software development; staphylococcal enterotoxin; tertiary amine; therapeutic development; tool; transmission process; vector; weapons; web page; web site

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.

发育治疗计划（DTP）是NCI中的组，该小组支持对治疗癌症的新疗法的发现和发展。这些可以是低分子量化合物或生物学实体，例如抗体或病毒载体。低分子量化合物可以是新型的合成化合物或纯化的天然产物。药物发现努力的目的是确定有希望的治疗策略，尤其是与生物学作用的新型机制相关的。开发工作的目的是为临床试验做好准备的最有希望的策略。 DTP的另一个角色是为癌症研究界提供尽可能多的这些活动所产生的数据。这涉及生成和记录数据集并通过网页提供它们。 DTP计算机中心（DTPCC）向DTP，DCTD，NCI提供了计算机支持，包括操作，技术支持服务和软件开发。 DTPCC为DTP信息系统要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），分析和统计评估以及实验结果的Web发布。为DTP的许多功能提供了计算机支持，包括识别和调度化合物以测试，准备和处理化合物，执行实验以及分析活动的实验结果。 DTPCC中的主要组是企业和Windows Server支持组，包括对Oracle，OpenVMS，Windows，HPUX和Linux的服务器的支持； Web应用程序开发小组，负责创建和维护程序网页和应用程序以及Java和Oracle开发活动；传统应用程序开发小组，负责持续支持和维护现有DTP软件基础架构的核心组件；工作站支持小组，负责桌面应用程序的最终用户支持；以及基于目标结构的药物设计组（单独报告），提供了理性药物设计，蛋白质建模和生物信息学方面的专业知识。 DTPCC主持了几个网站，用于癌症治疗和诊断（DCTD）。其中包括DCTD站点，癌症诊断计划和发育治疗计划网站。他们很快将托管新的网站，以进行转化研究和临床试验评估计划。 DTPCC主持许多部门计划。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，以访问DTP的Laserfiche文档管理数据库（https://pdsop.nci.nih.gov）。 �在线 - 利比德访问介入开发（E-RAID）：添加到ERAID申请中，SEP委员会审查申请。 SEP现在能够在每个突袭周期内在线审查所有ERAID申请，委员会文件和审阅者评论。 »复合提交系统（CSS）。重写此应用程序以删除登录，报告查看，RAID应用程序或复合测试提交的PKI证书要求。编写了一个新的注册应用程序，该应用程序允许用户创建和更改自己的密码。一剂量和体内毒性数据报告已添加到CSS中。完成的MTA法律要求更新了复合订购系统。 DTPCC还实施了部门倡议，例如： »增强了笔记本电脑安全性。根据NIH指令，工作人员在DTPCC的监护权下完成了所有笔记本电脑的加密。该安全措施防止了从DTP的企业Oracle数据库得出的数据的损失或折衷（2007年7月完成）。 DST修复。 DTPComputer中心（41台服务器）中所有服务器的完成日光节省时间（DST）修复，使服务器符合2005年《能源政策法》规定的更改。 »联邦桌面核心配置（FDCC）：DTPCC在实施OMB符合的FDCC安全设置方面发挥了重要作用。 Web应用程序开发小组开发并维护了一个基于Web的应用程序套件，该套件可作为药物发现的计算工具。该工具被称为试点（药效团识别和铅组织工具）作为网络。该化学信息学工具在用户指定的一组分子集中搜索了常见的药理。这项工作是与基于目标结构的设计组合作的结果。 DTPCC还提供了一个基于目标结构的设计组（DPTCCTSBDDG）。该小组在分子建模，药物发现，化学信息学和软件开发领域为信息技术分支，发育治疗计划，癌症治疗和诊断部门，癌症治疗和诊断部提供支持。该小组所做的大多数工作包括计算方法开发和应用于DTP优先级的目标，并与参与铅化合物定量测试的实验室合作以及候选药物的化学合成。感兴趣的癌症靶标包括：多个小节素位点，CDK和最近的RSK蛋白和拓扑异构酶。该小组还负责对USAMRIID/NCI-DTP联合抗差异疗法治疗学跨机构间协议（IAG）的实验室和计算支持。该项目的重点是针对某些生物治疗级A和B代理的治疗剂的开发，由于其传染性，相对易于传播或高死亡率，它们构成了最大的威胁。目前在IAG中进行的研究是：炭疽芽孢杆菌毒素，肉毒杆菌神经毒素，瑞奇诺司毒素或ricin？毒素毒素，葡萄球菌肠毒素和Filoviridae靶标（Ebola和Marbura）。 IAG始于2001年3月，所有人员配备，采购和分包合同管理都已通过TSBDDG执行。通过IAG努力开发的所有数据和技术不仅对于生成应对生物武器的治疗剂都很重要，而且还为癌症提供了更有效，更有效的分子建模服务。要求NCI支持的研究人员 药物设计和开发。