{"title":"胰腺导管腺癌的计算治疗策略。","authors":"Pradnya Kamble, Tanmaykumar Varma, Rajender Kumar, Prabha Garg","doi":"10.1007/s11030-025-11241-3","DOIUrl":null,"url":null,"abstract":"<p><p>Pancreatic ductal adenocarcinoma (PDAC) is a formidable challenge in modern medicine, characterized by its insidious progression, early systemic metastasis, and alarmingly low survival rates. Given its clinical challenges, improving detection strategies for PDAC remains a critical area of research. This study has used advanced computational approaches to predict pancreatic adenocarcinoma-associated target genes using transcriptomics datasets. Predictive machine learning models were trained using the identified gene signatures, highlighting their potential relevance for future research into diagnostic strategies for PDAC. A total of thirteen differentially expressed genes (DEGs) associated with PDAC were identified, of which twelve were upregulated (CEACAM5, CEACAM6, CTSE, GALNT5, LAMB3, LAMC2, SLC6A14, TMPRSS4, TSPAN1, ITGA2, ITGB6, and POSTN) and one was down regulated (IAPP). These DEGs are all linked to cancer-associated pathways and potentially play a role in the growth and development of cancer. Furthermore, virtual screening evaluated the upregulated SLC6A14 gene-encoded protein for therapeutic repurposing, revealing promising candidates for PDAC treatment. This study offers exploratory insights into gene expression patterns and molecular biomarkers that may inform future research to improve PDAC prognosis and therapeutic development and provide the repurposed drug candidate for further exploration.</p>","PeriodicalId":708,"journal":{"name":"Molecular Diversity","volume":" ","pages":""},"PeriodicalIF":3.9000,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computational theranostics strategy for pancreatic ductal adenocarcinoma.\",\"authors\":\"Pradnya Kamble, Tanmaykumar Varma, Rajender Kumar, Prabha Garg\",\"doi\":\"10.1007/s11030-025-11241-3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Pancreatic ductal adenocarcinoma (PDAC) is a formidable challenge in modern medicine, characterized by its insidious progression, early systemic metastasis, and alarmingly low survival rates. Given its clinical challenges, improving detection strategies for PDAC remains a critical area of research. This study has used advanced computational approaches to predict pancreatic adenocarcinoma-associated target genes using transcriptomics datasets. Predictive machine learning models were trained using the identified gene signatures, highlighting their potential relevance for future research into diagnostic strategies for PDAC. A total of thirteen differentially expressed genes (DEGs) associated with PDAC were identified, of which twelve were upregulated (CEACAM5, CEACAM6, CTSE, GALNT5, LAMB3, LAMC2, SLC6A14, TMPRSS4, TSPAN1, ITGA2, ITGB6, and POSTN) and one was down regulated (IAPP). These DEGs are all linked to cancer-associated pathways and potentially play a role in the growth and development of cancer. Furthermore, virtual screening evaluated the upregulated SLC6A14 gene-encoded protein for therapeutic repurposing, revealing promising candidates for PDAC treatment. This study offers exploratory insights into gene expression patterns and molecular biomarkers that may inform future research to improve PDAC prognosis and therapeutic development and provide the repurposed drug candidate for further exploration.</p>\",\"PeriodicalId\":708,\"journal\":{\"name\":\"Molecular Diversity\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-06-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Diversity\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1007/s11030-025-11241-3\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Diversity","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s11030-025-11241-3","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
Computational theranostics strategy for pancreatic ductal adenocarcinoma.
Pancreatic ductal adenocarcinoma (PDAC) is a formidable challenge in modern medicine, characterized by its insidious progression, early systemic metastasis, and alarmingly low survival rates. Given its clinical challenges, improving detection strategies for PDAC remains a critical area of research. This study has used advanced computational approaches to predict pancreatic adenocarcinoma-associated target genes using transcriptomics datasets. Predictive machine learning models were trained using the identified gene signatures, highlighting their potential relevance for future research into diagnostic strategies for PDAC. A total of thirteen differentially expressed genes (DEGs) associated with PDAC were identified, of which twelve were upregulated (CEACAM5, CEACAM6, CTSE, GALNT5, LAMB3, LAMC2, SLC6A14, TMPRSS4, TSPAN1, ITGA2, ITGB6, and POSTN) and one was down regulated (IAPP). These DEGs are all linked to cancer-associated pathways and potentially play a role in the growth and development of cancer. Furthermore, virtual screening evaluated the upregulated SLC6A14 gene-encoded protein for therapeutic repurposing, revealing promising candidates for PDAC treatment. This study offers exploratory insights into gene expression patterns and molecular biomarkers that may inform future research to improve PDAC prognosis and therapeutic development and provide the repurposed drug candidate for further exploration.
期刊介绍:
Molecular Diversity is a new publication forum for the rapid publication of refereed papers dedicated to describing the development, application and theory of molecular diversity and combinatorial chemistry in basic and applied research and drug discovery. The journal publishes both short and full papers, perspectives, news and reviews dealing with all aspects of the generation of molecular diversity, application of diversity for screening against alternative targets of all types (biological, biophysical, technological), analysis of results obtained and their application in various scientific disciplines/approaches including:
combinatorial chemistry and parallel synthesis;
small molecule libraries;
microwave synthesis;
flow synthesis;
fluorous synthesis;
diversity oriented synthesis (DOS);
nanoreactors;
click chemistry;
multiplex technologies;
fragment- and ligand-based design;
structure/function/SAR;
computational chemistry and molecular design;
chemoinformatics;
screening techniques and screening interfaces;
analytical and purification methods;
robotics, automation and miniaturization;
targeted libraries;
display libraries;
peptides and peptoids;
proteins;
oligonucleotides;
carbohydrates;
natural diversity;
new methods of library formulation and deconvolution;
directed evolution, origin of life and recombination;
search techniques, landscapes, random chemistry and more;