MODELING THE STRUCTURE & DYNAMICS OF ACH ESTERASE CLUSTERS
结构建模
基本信息
- 批准号:8169346
- 负责人:
- 金额:$ 1.12万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2010
- 资助国家:美国
- 起止时间:2010-05-01 至 2011-04-30
- 项目状态:已结题
- 来源:
- 关键词:BiologyCollaborationsComplexComputer Retrieval of Information on Scientific Projects DatabaseDevelopmentDockingFundingGoalsGrantHomologous ProteinHomology ModelingHumanInstitutionLeadLigand BindingLigand Binding DomainMental disordersModelingMolecular ConformationMotionNeurologicNicotinic ReceptorsPharmaceutical PreparationsPhaseProductivityResearchResearch PersonnelResourcesSamplingSchemeSourceStructureUnited States National Institutes of HealthWorkcomputerized toolsdrug discoveryesterasehuman diseasemolecular dynamicsnovel therapeuticsreceptorsmall moleculetool
项目摘要
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.
Despite many great advances in our understanding of the fundamental biology of nicotinic acetylcholine receptors, challenges remain to develop new therapeutics. The work proposed in this collaborative project builds significantly on a strong collaboration (Henchman et al., 2003 a,b; Ivanov et al., 2007; Cheng et al., 2007; Wang et al., 2008), taking it in the direction of drug discovery for the treatment of a variety of human diseases. This is expected to enable a great increase in productivity, building on pioneering computational docking efforts of the Sine group in particular (Gao et al., 2003; Wang et al., 2003). Molecular dynamics simulations and accelerated molecular dynamics simulations will be further developed and applied to probe the internal motions of nicotinic acetylcholine receptors and homologous proteins. The results will be analyzed to deepen our understanding of the normal and pathological activity of these receptors. A key goal of this new phase of collaboration will be the use of the sampled conformations along with emerging NBCR workflow tools as targets for the docking of small molecules to suggest lead compounds for drug discovery. In particular, this collaboration focuses on how the discovery of new drugs for neurological and psychiatric diseases represents another important scientific driver and translational opportunity for the continued development of these computational tools and workflow. This collaboration will extend the development and application of our Relaxed Complex Schemes, implemented in new workflows with an increasing array of tools, for drug discovery to examine how selective binding of ligands might be achieved in the receptor ligand-binding domains. Our work will focus not only on homology models of the ligand-binding domains of human receptors, but also on the AChBPs.
这个子项目是许多研究子项目中的一个
由NIH/NCRR资助的中心赠款提供的资源。子项目和
研究者(PI)可能从另一个NIH来源获得了主要资金,
因此可以在其他CRISP条目中表示。所列机构为
研究中心,而研究中心不一定是研究者所在的机构。
尽管我们对烟碱乙酰胆碱受体的基础生物学的理解取得了许多重大进展,但开发新的治疗方法仍然面临挑战。 在这个合作项目中提出的工作显著地建立在强有力的合作基础上(Henchman等人,2003 a,B; Ivanov等人,2007; Cheng等人,2007; Wang等人,2008年),将其引入药物发现的方向,用于治疗各种人类疾病。 预计这将使生产率大幅提高,特别是建立在Sine组的开创性计算对接努力的基础上(Gao et al.,2003; Wang等人,2003年)。 分子动力学模拟和加速分子动力学模拟将进一步发展和应用于探测烟碱乙酰胆碱受体和同源蛋白质的内部运动。 分析结果将加深我们对这些受体的正常和病理活性的理解。 这一新的合作阶段的一个关键目标将是使用采样的构象沿着新兴的NBCR工作流程工具作为小分子对接的靶点,为药物发现提供先导化合物。 特别是,这项合作的重点是如何发现神经和精神疾病的新药代表了另一个重要的科学驱动力和翻译机会,为这些计算工具和工作流程的持续发展。这项合作将扩展我们的放松复杂方案的开发和应用,该方案在新的工作流程中实施,具有越来越多的工具,用于药物发现,以研究如何在受体配体结合域中实现配体的选择性结合。 我们的工作将不仅集中在人类受体的配体结合域的同源模型,但也对乙酰胆碱BPs。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
数据更新时间:{{ journalArticles.updateTime }}
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
数据更新时间:{{ journalArticles.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ monograph.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ sciAawards.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ conferencePapers.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ patent.updateTime }}
PALMER William TAYLOR其他文献
PALMER William TAYLOR的其他文献
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
{{ truncateString('PALMER William TAYLOR', 18)}}的其他基金
MODELING THE STRUCTURE & DYNAMICS OF ACH ESTERASE CLUSTERS
结构建模
- 批准号:
7955236 - 财政年份:2009
- 资助金额:
$ 1.12万 - 项目类别:
MODELING THE STRUCTURE & DYNAMICS OF ACH ESTERASE CLUSTERS
结构建模
- 批准号:
7722341 - 财政年份:2008
- 资助金额:
$ 1.12万 - 项目类别:
MODELING THE STRUCTURE & DYNAMICS OF ACH ESTERASE CLUSTERS
结构建模
- 批准号:
7601688 - 财政年份:2007
- 资助金额:
$ 1.12万 - 项目类别:
ANALYSIS OF ACETYLCHOLINE BINDING PROTEIN AND ACETYLCHOLINE ESTERASE
乙酰胆碱结合蛋白和乙酰胆碱酯酶的分析
- 批准号:
7601095 - 财政年份:2007
- 资助金额:
$ 1.12万 - 项目类别:
ACETYLCHOLINE BINDING PROTEIN & ACETYLCHOLINE ESTERASE
乙酰胆碱结合蛋白
- 批准号:
7358062 - 财政年份:2006
- 资助金额:
$ 1.12万 - 项目类别:
Oxime-Assisted Catalysis of Organophosphates and Reactivation of AChE
有机磷酸酯的肟辅助催化和乙酰胆碱酯酶的再活化
- 批准号:
7471380 - 财政年份:2006
- 资助金额:
$ 1.12万 - 项目类别:
Oxime-Assisted Catalysis of Organophosphates and Reactivation of AChE
有机磷酸酯的肟辅助催化和乙酰胆碱酯酶的再活化
- 批准号:
7692105 - 财政年份:2006
- 资助金额:
$ 1.12万 - 项目类别:
相似海外基金
RII Track-1: Interface of Change: Building Collaborations to Assess Harvested and Farmed Marine Species Prioritized by Gulf of Alaska Communities Facing Environmental Shifts
RII Track-1:变革界面:建立合作来评估面临环境变化的阿拉斯加湾社区优先考虑的捕捞和养殖海洋物种
- 批准号:
2344553 - 财政年份:2024
- 资助金额:
$ 1.12万 - 项目类别:
Cooperative Agreement
Cross-Pollination Skillsets: Growing Mechatronics and Agricultural Collaborations for Producing Skilled Agricultural Technicians
异花授粉技能:不断发展机电一体化和农业合作,培养熟练的农业技术人员
- 批准号:
2350254 - 财政年份:2024
- 资助金额:
$ 1.12万 - 项目类别:
Standard Grant
Future Fashion Landscapes: Fostering biodiversity through collaborations between farmers, designers, and processors of native and rare breed wool
未来时尚景观:通过农民、设计师和本地及稀有品种羊毛加工商之间的合作促进生物多样性
- 批准号:
AH/Z505365/1 - 财政年份:2024
- 资助金额:
$ 1.12万 - 项目类别:
Research Grant
Building Equitable University-Community Geoscience Research Collaborations on Chicago’s South Side
在芝加哥南区建立公平的大学与社区地球科学研究合作
- 批准号:
2326749 - 财政年份:2024
- 资助金额:
$ 1.12万 - 项目类别:
Standard Grant
Research integrity in international research collaborations: emerging roles and responsibilities of higher education and research
国际研究合作中的研究诚信:高等教育和研究的新角色和责任
- 批准号:
24K16716 - 财政年份:2024
- 资助金额:
$ 1.12万 - 项目类别:
Grant-in-Aid for Early-Career Scientists
Building new collaborations to develop highly radiation resistant materials for fusion power
建立新的合作关系,开发用于聚变发电的高抗辐射材料
- 批准号:
EP/X024091/1 - 财政年份:2023
- 资助金额:
$ 1.12万 - 项目类别:
Research Grant
Collaborative Research: Advancing Collaborations for Equity in Marine and Climate Sciences
合作研究:推进海洋和气候科学公平合作
- 批准号:
2314916 - 财政年份:2023
- 资助金额:
$ 1.12万 - 项目类别:
Standard Grant
Collaborations in Discipline-Based Education Research to Train Postdoctoral Scholars
学科教育研究合作培养博士后
- 批准号:
2329292 - 财政年份:2023
- 资助金额:
$ 1.12万 - 项目类别:
Standard Grant
FW-HTF-RL/Collaborative Research: Elevating Farm Worker-Robot Collaborations in Agri-Food Ecosystems
FW-HTF-RL/协作研究:提升农业食品生态系统中的农场工人与机器人协作
- 批准号:
2326310 - 财政年份:2023
- 资助金额:
$ 1.12万 - 项目类别:
Standard Grant
Creating Sustainable Community, Museum, and University Collaborations
创建可持续的社区、博物馆和大学合作
- 批准号:
2314112 - 财政年份:2023
- 资助金额:
$ 1.12万 - 项目类别:
Standard Grant