Computational theranostics strategy for pancreatic ductal adenocarcinoma.

IF 3.9 2区 化学 Q2 CHEMISTRY, APPLIED
Pradnya Kamble, Tanmaykumar Varma, Rajender Kumar, Prabha Garg
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引用次数: 0

Abstract

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.

胰腺导管腺癌的计算治疗策略。
胰腺导管腺癌(Pancreatic ductal adencarcinoma, PDAC)是现代医学中一项艰巨的挑战,其特点是进展隐匿,早期全身转移,生存率低得惊人。鉴于其临床挑战,改进PDAC的检测策略仍然是一个关键的研究领域。本研究使用先进的计算方法利用转录组学数据集预测胰腺腺癌相关靶基因。预测机器学习模型使用已识别的基因特征进行训练,强调它们与未来PDAC诊断策略研究的潜在相关性。共鉴定出13个与PDAC相关的差异表达基因(DEGs),其中12个表达上调(CEACAM5、CEACAM6、CTSE、GALNT5、LAMB3、LAMC2、SLC6A14、TMPRSS4、TSPAN1、ITGA2、ITGB6和POSTN), 1个表达下调(IAPP)。这些deg都与癌症相关的途径有关,并可能在癌症的生长和发展中发挥作用。此外,虚拟筛选评估了上调的SLC6A14基因编码蛋白的治疗再利用,揭示了有希望的PDAC治疗候选者。本研究提供了对基因表达模式和分子生物标志物的探索性见解,可能为未来的研究提供信息,以改善PDAC的预后和治疗开发,并为进一步探索提供重新定位的候选药物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Molecular Diversity
Molecular Diversity 化学-化学综合
CiteScore
7.30
自引率
7.90%
发文量
219
审稿时长
2.7 months
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;
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