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IN SILICO IDENTIFICATION OF PROTEIN AND PROTEIN DOCKING USING CHEMINFORMATICS WITH ANTICANCER PROPERTY IN PENAEUS SP

机译:在Penaeus sp中使用化学信息学用抗癌性能杀菌蛋白质和蛋白质对接的蛋白质和蛋白质对接

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Fragment-based drug discovery approaches have recently gained prominence as a distinct and complementary to drug discovery.Anticancer proteins present in the species such as Fennero penaeus indicus, Penaeus monodon, Litopenaeus vannamei and Metapenaeusensis were determined based on binding affinities against the cancer proteins causing human Lung, Blood, Pancreatic, Breast and Colon Cancer were identified and validated with protein-protein docking servers.The molecular conserved regions of the retrieved protein sequences are identified using T-COFFEE server and applied into CPH model server to predict the three dimensional structure of the target proteins.These studies were performed using advanced automated Protein – protein docking server called CLUSPRO.On comparing the docking values, the protein C Type Lectin of Fennero penaeus indicus shows higher binding affinity value is (-1282.5) and followed by Penaeus monodon (-1169.5) and Metapenaeus ensis (-1101.3) for lung cancer gene (CHRNA3).For the blood cancer gene (MLLT10), Metapenaeus ensis protein shows higher binding affinity value (-1010.3).Penaeus monodon binding affinity (-1013.4) with colon cancer (DCC), Based on the affinities we conclude that the proteins (CHRNA3) are best candidate Inhibitors (drug) for human cancers.
机译:最近突出的基于片段的药物发现方法是对药物发现的一种截然不同和互补的。基于对癌症蛋白质的结合亲和力来确定诸如Fennero Penaeus indicus,PenaeoSo onodon,Litopenaeus vannamei和metapeNaeusensis等物种中的南部蛋白质蛋白质用蛋白质 - 蛋白对接服务器鉴定肺,血液,胰腺癌,乳腺癌和结肠癌。使用T-Coffee Server识别检索到的蛋白质序列的分子保守区域,并应用于CPH模型服务器以预测三维结构目标蛋白。这些研究是使用称为Cluspro.on的先进自动蛋白 - 蛋白质对接服务器进行研究,Fennero penaeus indecus的蛋白C型凝集素显示出更高的结合亲和力值(-1282.5),然后是Penaeus monodon( -1169.5)和metapenaeus ensis(-1101.3)用于肺癌基因(Chr Na3)。对于血液癌基因(MLT10),MetapeNaeus ensis蛋白显示出更高的结合亲和力值(-1010.3)。基于蛋白质的亲和力(COLD)( Chrna3)是人类癌症的最佳候选抑制剂(药物)。

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