{"title":"环状RNA CircPGD编码的蛋白PGD-219aa的结构视图。","authors":"Jit Mondal, Sima Biswas, Sreekanya Roy, Anirban Nandy, Dipanjan Guha, Angshuman Bagchi","doi":"10.1007/s00894-025-06454-0","DOIUrl":null,"url":null,"abstract":"<p>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.</p><p>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.</p><p>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.</p>","PeriodicalId":651,"journal":{"name":"Journal of Molecular Modeling","volume":"31 9","pages":""},"PeriodicalIF":2.5000,"publicationDate":"2025-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The structural view of the protein PGD-219aa encoded by the circular RNA CircPGD\",\"authors\":\"Jit Mondal, Sima Biswas, Sreekanya Roy, Anirban Nandy, Dipanjan Guha, Angshuman Bagchi\",\"doi\":\"10.1007/s00894-025-06454-0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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.</p><p>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.</p><p>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.</p>\",\"PeriodicalId\":651,\"journal\":{\"name\":\"Journal of Molecular Modeling\",\"volume\":\"31 9\",\"pages\":\"\"},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2025-08-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Modeling\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s00894-025-06454-0\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Modeling","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s00894-025-06454-0","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
The structural view of the protein PGD-219aa encoded by the circular RNA CircPGD
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.
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.