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GPR139和GPR142的泛癌分析与药物配方

Pan-Cancer Analysis and Drug Formulation for GPR139 and GPR142.

作者信息

Kaushik Aman Chandra, Mehmood Aamir, Dai Xiaofeng, Wei Dong-Qing

机构信息

Wuxi School of Medicine, Jiangnan University, Wuxi, China.

School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, China.

出版信息

Front Pharmacol. 2021 Feb 19;11:521245. doi: 10.3389/fphar.2020.521245. eCollection 2020.

Abstract

GPR (G protein receptor) 139 and 142 are novel foundling GPCRs (G protein-coupled receptors) in the class "A" of the GPCRs family and are suitable targets for various biological conditions. To engage these targets, validated pharmacophores and 3D QSAR (Quantitative structure-activity relationship) models are widely used because of their direct fingerprinting capability of the target and an overall accuracy. The current work initially analyzes GPR139 and GPR142 for its genomic alteration via tumor samples. Next to that, the pharmacophore is developed to scan the 3D database for such compounds that can lead to potential agonists. As a result, several compounds have been considered, showing satisfactory performance and a strong association with the target. Additionally, it is gripping to know that the obtained compounds were observed to be responsible for triggering pan-cancer. This suggests the possible role of novel GPR139 and GPR142 as the substances for initiating a physiological response to handle the condition incurred as a result of cancer.

摘要

G蛋白受体(G protein receptor,GPR)139和142是G蛋白偶联受体(G protein-coupled receptors,GPCR)家族“A”类中最新发现的GPCR,是适用于各种生物学条件的靶点。为了作用于这些靶点,经过验证的药效团和三维定量构效关系(Quantitative structure-activity relationship,3D QSAR)模型因其对靶点的直接指纹识别能力和整体准确性而被广泛使用。当前的工作首先通过肿瘤样本分析GPR139和GPR142的基因组改变。其次,开发药效团以扫描三维数据库,寻找可能产生潜在激动剂的化合物。结果,已筛选出几种化合物,它们表现出令人满意的性能,并与靶点有很强的关联性。此外,值得注意的是,所获得的化合物被观察到可引发泛癌。这表明新型GPR139和GPR142可能作为引发生理反应的物质,以应对癌症所导致的状况。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f34e/7933564/ea1611c68ba2/fphar-11-521245-g001.jpg

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