知搜-全球专利检索

  1. 登录
  2. 注册

搜索结果

34 条记录 (耗时 0.037 秒)

    Facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers and uses thereof
    1.
    发明授权
    Facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers and uses thereof 有权
    表面两亲性聚芳基和聚芳基炔基聚合物和低聚物及其用途

    公开(公告)号：US08222456B2

    公开(公告)日：2012-07-17

    申请号：US11038787

    申请日：2005-01-21

    申请人： William F. DeGrado ,  Dahui Liu ,  Gregory N. Tew ,  Michael L. Klein

    发明人： William F. DeGrado ,  Dahui Liu ,  Gregory N. Tew ,  Michael L. Klein

    IPC分类号： C07C211/27 ,  C07C279/06 ,  C07C233/77 ,  A61K31/135 ,  A61K31/155 ,  A61K31/16 ,  A61K31/132

    CPC分类号： C07C279/12 ,  A61K31/74 ,  C07C211/27 ,  C07C217/58 ,  C07C233/78

    摘要： The present invention discloses methods of use of facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers, including, but not limited to, pharmaceutical uses of the polymers and oligomers as antimicrobial agents and as antidotes for hemorrhagic complications associated with heparin therapy. The present invention also discloses novel facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers, compositions of the novel polymers and oligomers, including pharmaceutical compositions, and methods of designing and synthesizing the facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers.

    摘要翻译： 本发明公开了使用表面两亲聚芳基和聚芳基炔基聚合物和低聚物的方法，包括但不限于聚合物和低聚物作为抗微生物剂的药物用途和用于与肝素治疗相关的出血并发症的解毒剂。 本发明还公开了新颖的表面两亲聚芳基和聚芳基炔基聚合物和低聚物，新型聚合物和低聚物的组合物，包括药物组合物，以及设计和合成表面两亲聚芳基和聚芳基炔基聚合物和低聚物的方法。

    Facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers and uses thereof
    8.
    发明授权
    Facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers and uses thereof 有权
    表面两亲性聚芳基和聚芳基炔基聚合物和低聚物及其用途

    公开(公告)号：US08716530B2

    公开(公告)日：2014-05-06

    申请号：US13365840

    申请日：2012-02-03

    申请人： William F. DeGrado ,  Dahui Liu ,  Gregory N. Tew ,  Michael L. Klein

    发明人： William F. DeGrado ,  Dahui Liu ,  Gregory N. Tew ,  Michael L. Klein

    IPC分类号： C07C211/27 ,  C07C279/06 ,  C07C233/77 ,  A61K31/135 ,  A61K31/155 ,  A61K31/16 ,  A61K31/132

    CPC分类号： C07C279/12 ,  A61K31/74 ,  C07C211/27 ,  C07C217/58 ,  C07C233/78

    摘要： The present invention discloses methods of use of facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers, including, but not limited to, pharmaceutical uses of the polymers and oligomers as antimicrobial agents and as antidotes for hemorrhagic complications associated with heparin therapy. The present invention also discloses novel facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers, compositions of the novel polymers and oligomers, including pharmaceutical compositions, and methods of designing and synthesizing the facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers.

    摘要翻译： 本发明公开了使用表面两亲聚芳基和聚芳基炔基聚合物和低聚物的方法，包括但不限于聚合物和低聚物作为抗微生物剂的药物用途和用于与肝素治疗相关的出血并发症的解毒剂。 本发明还公开了新颖的表面两亲聚芳基和聚芳基炔基聚合物和低聚物，新型聚合物和低聚物的组合物，包括药物组合物，以及设计和合成表面两亲聚芳基和聚芳基炔基聚合物和低聚物的方法。

    Methods, systems, and computer program products for computational analysis and design of amphiphilic polymers
    10.
    发明授权
    Methods, systems, and computer program products for computational analysis and design of amphiphilic polymers 有权
    用于计算分析和设计两亲性聚合物的方法，系统和计算机程序产品

    公开(公告)号：US07590517B2

    公开(公告)日：2009-09-15

    申请号：US10446171

    申请日：2003-05-28

    申请人： Robert Doerksen ,  Bin Chen ,  William F. DeGrado ,  Michael L. Klein

    发明人： Robert Doerksen ,  Bin Chen ,  William F. DeGrado ,  Michael L. Klein

    IPC分类号： G06G7/48

    CPC分类号： G06F19/701

    摘要： Methods, systems, and computer program products for computational polymer processing including, without limitation, computational amphiphilic polymer design, conformational energy minimization, generation and refinement of torsional parameters for sub-units of potential polymers, generation of modified force field parameters, and prediction of conformational information for potential polymers. A target polymer backbone or portion thereof is identified. Small model compounds that have structural connectivities that are similar to structural connectivities of the target polymer backbone or portion thereof, are identified, whereby the combination of the small model compounds serve as a model of the target polymer or portion thereof. Gradient-corrected density functional theory (“DFT”) torsional potentials are calculated for the small model compounds, wherein energies are calculated at unconstrained and constrained geometries of the selected small model compounds. New torsional parameters are then obtained from the DFT torsional potentials. The new torsional parameters are combined with other terms to form a modified (or new) force field for the target polymer backbone or portion thereof. Molecular dynamics and configurational-biased Monte Carlo (“MD/MC”) simulations are performed using the modified force field, whereby results of the MD/MC simulations serve as predicted conformation properties of the target polymer backbone. The predicted conformation properties for the multiple target polymer backbones are then used to select one or more of the target polymer backbones as candidate amphiphilic polymer backbones for synthesis.

    摘要翻译： 用于计算聚合物处理的方法，系统和计算机程序产品，包括但不限于计算两亲性聚合物设计，构象能量最小化，潜在聚合物的子单元的扭转参数的产生和细化，生成修改的力场参数以及预测 潜在聚合物的构象信息。 鉴定目标聚合物主链或其部分。 鉴定出具有与目标聚合物主链或其部分的结构连接性相似的结构连接性的小型化合物，由此小型化合物的组合用作目标聚合物或其部分的模型。 对于小模型化合物计算梯度校正密度泛函理论（“DFT”）扭转电位，其中在所选择的小模型化合物的无约束和约束几何形状下计算能量。 然后从DFT扭转电位获得新的扭转参数。 新的扭转参数与其它术语组合以形成目标聚合物主链或其部分的修改（或新）力场。 使用修改的力场进行分子动力学和构型偏置蒙特卡罗（“MD / MC”）模拟，由此MD / MC模拟的结果用作目标聚合物主链的预测构象性质。 然后使用多目标聚合物骨架的预测构象性质来选择一种或多种靶聚合物主链作为合成的候选两亲性聚合物主链。