The structural view of the protein PGD-219aa encoded by the circular RNA CircPGD

IF 2.5 4区 化学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY
Jit Mondal, Sima Biswas, Sreekanya Roy, Anirban Nandy, Dipanjan Guha, Angshuman Bagchi
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引用次数: 0

Abstract

Circular RNAs (circRNAs), belonging to the class of non-coding RNA molecules, have emerged as one of the key regulators of gene expression. Some of the circRNAs have proven protein-coding potentials, and their gene products play significant roles in various physiological and pathological processes. One such protein is PGD-219aa, which is derived from the circRNA named CircPGD. The protein has been shown to regulate the SMAD3 and YAP signalling pathways in gastric cancer. However, only the amino acid sequence of the protein is available to date without any reports on its structure–function relationships. Therefore, we used computational methods to characterise the protein and decipher its functional roles. Furthermore, we performed pathway analyses to shed light on the biochemical avenues where the protein might have a significant presence. From our analyses, we could point towards the importance of a key amino acid residue, Ser177, which might have fundamental functional roles. Future studies might involve targeting this particular amino acid to delineate its functional characteristics. Subsequently, we could propose the association of the protein not only to gastric cancer but also with other diseases as well. Through this work, we tried to analyse the plausible details of the functional roles of the protein. Our work may help in future drug development endeavours to combat the spread of gastric cancer tumours.

Circular RNAs (circRNAs), belonging to the class of non-coding RNA molecules, have emerged as one of the key regulators of gene expression. Some of the circRNAs have proven protein-coding potentials, and their gene products play significant roles in various physiological and pathological processes. One such protein is PGD-219aa, which is derived from the circRNA named CircPGD. The protein has been shown to regulate the SMAD3 and YAP signalling pathways in gastric cancer. However, only the amino acid sequence of the protein is available to date without any reports on its structure-function relationships. From our analyses, we could point towards the importance of a key amino acid residue, Ser177, which might have fundamental functional roles. Future studies might involve targeting this particular amino acid to delineate its functional characteristics. Subsequently, we could propose the association of the protein not only to gastric cancer but also with other diseases as well. Through this work, we tried to analyse the plausible details of the functional roles of the protein. Our work may help in future drug development endeavours to combat the spread of gastric cancer tumours.

Therefore, we used computational methods to characterise the protein and decipher its functional roles. Furthermore, we performed pathway analyses to shed light on the biochemical avenues where the protein might have a significant presence.

环状RNA CircPGD编码的蛋白PGD-219aa的结构视图。
环状RNA (circRNAs)是一类非编码RNA分子,已成为基因表达的关键调控因子之一。其中一些环状rna已被证实具有蛋白质编码潜能,其基因产物在各种生理和病理过程中发挥重要作用。其中一种蛋白质是PGD-219aa,它来自circRNA CircPGD。该蛋白已被证明在胃癌中调节SMAD3和YAP信号通路。然而,迄今为止只有该蛋白的氨基酸序列,没有关于其结构-功能关系的报道。因此,我们使用计算方法来表征蛋白质并破译其功能角色。此外,我们进行了途径分析,以阐明蛋白质可能具有重要存在的生化途径。从我们的分析中,我们可以指出一个关键的氨基酸残基Ser177的重要性,它可能具有基本的功能作用。未来的研究可能包括针对这种特殊的氨基酸来描述其功能特征。因此,我们可以提出该蛋白不仅与胃癌有关,还与其他疾病有关。通过这项工作,我们试图分析蛋白质功能作用的可信细节。我们的工作可能有助于未来的药物开发努力,以对抗胃癌肿瘤的扩散。背景:环状RNA (circRNAs)属于一类非编码RNA分子,已成为基因表达的关键调控因子之一。其中一些环状rna已被证实具有蛋白质编码潜能,其基因产物在各种生理和病理过程中发挥重要作用。其中一种蛋白质是PGD-219aa,它来自circRNA CircPGD。该蛋白已被证明在胃癌中调节SMAD3和YAP信号通路。然而,迄今为止只有该蛋白的氨基酸序列,没有关于其结构-功能关系的报道。从我们的分析中,我们可以指出一个关键的氨基酸残基Ser177的重要性,它可能具有基本的功能作用。未来的研究可能包括针对这种特殊的氨基酸来描述其功能特征。因此,我们可以提出该蛋白不仅与胃癌有关,还与其他疾病有关。通过这项工作,我们试图分析蛋白质功能作用的可信细节。我们的工作可能有助于未来的药物开发努力,以对抗胃癌肿瘤的扩散。方法:因此,我们使用计算方法来表征蛋白质并破译其功能作用。此外,我们进行了途径分析,以阐明蛋白质可能具有重要存在的生化途径。
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来源期刊
Journal of Molecular Modeling
Journal of Molecular Modeling 化学-化学综合
CiteScore
3.50
自引率
4.50%
发文量
362
审稿时长
2.9 months
期刊介绍: The Journal of Molecular Modeling focuses on "hardcore" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling. Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry. Topics include computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.
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