LANGEVIN DYNAMICS SIMULATION OF LIPID KINASE MUTATIONS IN CANCER

LANGEVIN DYNAMICS 模拟癌症中的脂质激酶突变

• 批准号: 7723391
• 负责人: Rachel Karchin
• 金额: $ 0.05万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-08-01 至 2009-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7723391
• 关键词: Amino Acids; Automobile Driving; Class; Computer Retrieval of Information on Scientific Projects Database; Funding; Grant; Growth; Homologous Gene; Institution; Lipids; Malignant Neoplasms; Molecular; Mutation; PIK3CA gene; PIK3CG gene; Phosphoinositide-3-Kinase, Catalytic, Gamma Polypeptide; Phosphotransferases; Play; Proteins; Research; Research Personnel; Resources; Roentgen Rays; Role; Running; Source; Structure; United States National Institutes of Health; human PIK3CA protein; lipid I; malignant breast neoplasm; mutant; simulation

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Lipid kinase mutations play an important role in driving cancer growth. We propose to explore the underlying molecular mechanisms of amino acid changing mutations seen in breast cancers in the Class I lipid kinase PIK3CA using the X-ray crystal structure of its homolog, the Class I lipid kinase PIK3CG. We request resources to run 10ns Langevin dynamics simulations of seven mutant and three wild-type structures with CHARMM to elucidate the structural changes that produce an abnormal, hyperactive protein in cancer.

该副本是利用众多研究子项目之一 由NIH/NCRR资助的中心赠款提供的资源。子弹和 调查员（PI）可能已经从其他NIH来源获得了主要资金， 因此可以在其他清晰的条目中代表。列出的机构是 对于中心，这不一定是调查员的机构。 脂质激酶突变在促进癌症生长中起重要作用。我们建议使用其同源物的X射线晶体结构，即I类脂质激酶PIK3CG的X射线晶体结构。我们要求资源运行七个突变体和三个具有CHARMM的野生型结构的10NS Langevin动力学模拟，以阐明在癌症中产生异常，多活跃蛋白的结构变化。