| RGD三肽的潜在作用靶标预测与计算机模拟分析 |
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| 引用本文： | 劳兴珍,郑衍,高向东.RGD三肽的潜在作用靶标预测与计算机模拟分析[J].生物信息学,2011,9(3):196-200. |
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| 作者姓名： | 劳兴珍 郑衍 高向东 |
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| 作者单位： | 中国药科大学生命科学与技术学院,南京,210009 |
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| 摘 要： | 化学基因组技术是药物作用靶标确认、药物分子在通路中的作用的确证等方面有重要应用,可为新药研发和老药新用提供理论依据,并可降低药物发现中的高额成本.精氨酸-甘氨酸-天冬氨酸(RGD)三肽被证明是与细胞粘附受体特异性结合的特征序列,在生理学上扮演者重要角色.本研究利用化学基因组学中的其中一种方法即基于反向对接和药效团反向匹配搜索技术来研究RGD三肽的潜在作用靶标,并进行计算机模拟分析.反向匹配搜索结果发现计算得到的关键性靶标及其涉及的相关疾病与实验报道的RGD的药理活性相吻合,包括具有抗凝血、抗肿瘤作用,与肾及心血管作用有关等,而且还发现RGD可能是一个潜在的神经氨酸酶的抑制剂.
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| 关 键 词： | 靶标 RGD 预测 |
Prediction Potential Drug Target of RGD Tripeptide and its Binding Modes Simulation |
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| LAO Xing-zhen,ZHENG Heng,GAO Xiang-dong.Prediction Potential Drug Target of RGD Tripeptide and its Binding Modes Simulation[J].China Journal of Bioinformation,2011,9(3):196-200. |
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| Authors: | LAO Xing-zhen ZHENG Heng GAO Xiang-dong |
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| Institution: | LAO Xing-zhen,ZHENG Heng,GAO Xiang-dong*(School of Life Science and Technology,China Pharmaceutical University,Nanjing 210009,China) |
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| Abstract: | Chemogenomic technology,which plays an important role in both drug target elucidation and illumination of the function of small-molecular compounds on biological pathways,not only can be use to provide theoretical approaches for the new drug discovery and the new application of old drug,but also reduce the high cost in the drug discovery.Tripeptide Arg-Gly-Asp(RGD) was proved to be a character sequence specially connecting to extracellular matrix receptors,so it played a significant role in physiology.In th... |
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| Keywords: | Drug target RGD Prediction |
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