Molecular Modeling

分子模拟

• 批准号: 7944564
• 负责人: LAURENCE H. HURLEY
• 金额: $ 17.85万
• 依托单位: UNIVERSITY OF ARIZONA
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-08-19 至 2014-06-30
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7944564
• 关键词: Antineoplastic Agents; Arizona; Belief; C14 isotope; Cancer Center; Cancer Center Support Grant; Chemicals; Consultations; Custom; Development; Environmental Health; Equipment; Etiology; Group Meetings; Human Resources; Investigation; Label; Magnetic Resonance Imaging; Mission; Modeling; Modification; Molecular; Molecular Models; Organic Chemicals; Pharmaceutical Preparations; Prevention; Principal Investigator; Radioisotopes; Research; Research Personnel; Screening procedure; Services; Structure; Sulfur; Synthesis Chemistry; Techniques; Testing; Tritium; Visit; anti-cancer therapeutic; base; cancer therapy; chemical synthesis; computational chemistry; design; instrumentation; interest; meetings; member; molecular modeling; pharmacophore; stable isotope; success; virtual

9.1.9 MOLECULAR MODELING AND SYNTHETIC CHEMISTRY SHARED SERVICE The MMSC Shared Service is a new shared service created by fusion of the former Molecular Modeling Shared Service (MMSS) and the former Synthetic Chemistry Shared Service (SCSS). This reorganization is driven by the synergy that has arisen between these shared services during the past five years, and by the belief that stronger administrative and scientific ties between the involved personnel will benefit members of the AZCC. The mission of the Molecular Modeling and Synthetic Chemistry (MMSC) Shared Service is to provide consultation, molecular modeling support for the development of new anticancer compounds, custom syntheses of chemical compounds, and structure identification to AZCC investigators. The MMSC Shared Service offers the following: ¿ Expertise in structure-based design techniques ¿ Access to pharmacophore-based modeling, identification, and virtual screening techniques ¿ Consultation with AZCC investigators on problems in chemical synthesis and modification ¿ Custom chemical synthesis of unlabeled compounds ¿ Custom synthesis of stable isotope or radioisotope labeled compounds (presently, radioisotope synthesis is limited to tritium, carbon-14, and sulfur-35) ¿ Assistance in the spectroscopic characterization of unknown compounds The MMSC Shared Service is currently collaborating on the development of Gd-based MRI agents. The involved personnel meet regularly with the principal investigator to discuss the project. It is expected that similar involvement of the MMSC Shared Service will enhance other AZCC projects in the coming years. To drive this type of use, MMSC Shared Service personnel will offer to visit AZCC investigators' group meetings to explain the function and capabilities of the MMSC Shared Service and to share our successes.

9.1.9 分子建模与合成化学共享服务 MMSC共享服务是融合了原分子建模共享服务而创建的新共享服务 服务（MMSS）和以前的合成化学共享服务（SCSS）这次重组是由 过去五年中这些共享服务之间产生的协同作用，以及相信更强大的 相关人员之间的行政和科学联系将使 AZCC 成员受益。 分子建模与合成化学 (MMSC) 共享服务的使命是提供 咨询、开发新抗癌化合物的分子建模支持、定制合成 MMSC 共享服务为 AZCC 研究人员提供化学化合物和结构鉴定。 下列的： ¿基于结构的设计技术的专业知识 ¿获得基于药效基团的建模、鉴定和虚拟筛选技术 ¿与AZCC调查人员就化学合成和改性问题进行咨询 ¿未标记化合物的定制化学合成 ¿稳定同位素或放射性同位素标记化合物的定制合成（目前，放射性同位素合成 仅限于氚、碳 14 和硫 35） ¿协助未知化合物的光谱表征 MMSC 共享服务目前正在合作开发基于 Gd 的 MRI 试剂。 预计工作人员会定期与首席研究员会面讨论该项目。 MMSC 共享服务的参与将在未来几年增强其他 AZCC 项目的发展。 类型的使用，MMSC 共享服务人员将主动提出参加 AZCC 调查员小组会议，以解释 MMSC 共享服务的功能和能力并分享我们的成功。