首页> 外国专利> USE OF COMPUTATIONALLY DERIVED PROTEIN STRUCTURES OF GENETIC POLYMORPHISMS IN PHARMACOGENOMICS FOR DRUG DESIGN AND CLINICAL APPLICATIONS

USE OF COMPUTATIONALLY DERIVED PROTEIN STRUCTURES OF GENETIC POLYMORPHISMS IN PHARMACOGENOMICS FOR DRUG DESIGN AND CLINICAL APPLICATIONS

机译:遗传多态性的可推导蛋白质结构在药物基因组学中的药物设计和临床应用

摘要

Provided herein are computer-based methods for generating and using three-dimensional (3-D) structural models of target biomolecules. In particular, the target biomolecules are protein structural variants derived from genes containing genetic variations, or polymorphisms. The models are generated using molecular modeling techniques, such as homology modeling. The models can be used in structure-based drug design studies to identify drugs that bind to particular structural variants in structure-based drug design studies, for designing allele-specific drugs, population-specific drugs and for predicting clinical responses in patients. Molecular structure databases containing protein structural variant models also are provided.
机译:本文提供了基于计算机的方法,用于产生和使用靶生物分子的三维(3-D)结构模型。特别地,靶生物分子是衍生自包含遗传变异或多态性的基因的蛋白质结构变异。使用分子建模技术(例如同源性建模)生成模型。该模型可用于基于结构的药物设计研究中,以识别与特定结构变体结合的药物,用于设计等位基因特异性药物,人群特异性药物以及预测患者的临床反应。还提供了包含蛋白质结构变异模型的分子结构数据库。

著录项

  • 公开/公告号US2012010866A1

    专利类型

  • 公开/公告日2012-01-12

    原文格式PDF

  • 申请/专利权人 KALYANRAMAN RAMNARAYAN;

    申请/专利号US201113094663

  • 发明设计人 KALYANRAMAN RAMNARAYAN;

    申请日2011-04-26

  • 分类号G06G7/60;

  • 国家 US

  • 入库时间 2022-08-21 17:32:17

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