Dey Ashmita, Chakraborty Mrittika, Maulik Ujjwal, Bandyopadhyay Sanghamitra
Machine Intelligence Unit, Indian Statistical Institute, Kolkata, India.
Computer Science and Engineering, Jadavpur University, Kolkata, India.
Sci Rep. 2025 Mar 27;15(1):10563. doi: 10.1038/s41598-024-83178-w.
Despite the abundance of large-scale molecular and drug-response data, current research on early-onset Parkinson's disease (EOPD) markers often lacks mechanistic interpretations of drug-gene relationships, limiting our understanding of how drugs exert their therapeutic effects. While existing studies provide valuable EOPD markers, the mechanisms by which targeted drugs act remain poorly understood. We propose DTI-Prox, a novel workflow that identifies potentially overlooked EOPD markers and suggests relevant drug targets. DTI-Prox employs network proximity to measure how closely connected a drug and gene are within a biological network. Additionally, node similarity, which assesses the functional resemblance between network nodes, reveals meaningful drug-gene connections. DTI-Prox identifies 417 novel drug-target pairs and four previously unreported EOPD markers (PTK2B, APOA1, A2M, and BDNF), demonstrating significant pathway enrichment in neurodegenerative processes. Notably, shared pathway analysis shows that prioritized drugs such as Amantadine, Apomorphine, Atropine, Benztropine, Biperiden, Bromocriptine, Cabergoline, Carbidopa, and Citalopram, currently used for other conditions, interact with key EOPD-associated diagnostic markers, suggesting their potential for drug repurposing. The constructed functional network's validity is reinforced by statistically significant drug-target pairs. The findings provide new insights into EOPD drug mechanisms and identify promising therapeutic candidates, potentially leading to more effective, personalized treatment approaches for EOPD patients.
尽管有大量的大规模分子和药物反应数据,但目前关于早发性帕金森病(EOPD)标志物的研究往往缺乏对药物-基因关系的机制性解释,这限制了我们对药物如何发挥治疗作用的理解。虽然现有研究提供了有价值的EOPD标志物,但靶向药物的作用机制仍知之甚少。我们提出了DTI-Prox,这是一种新颖的工作流程,可识别可能被忽视的EOPD标志物并提出相关的药物靶点。DTI-Prox利用网络接近度来衡量药物和基因在生物网络中的连接紧密程度。此外,评估网络节点之间功能相似性的节点相似性揭示了有意义的药物-基因连接。DTI-Prox识别出417对新的药物-靶点对和四个以前未报道的EOPD标志物(PTK2B、APOA1、A2M和BDNF),表明在神经退行性过程中存在显著的通路富集。值得注意的是,共享通路分析表明,目前用于其他病症的优先药物,如金刚烷胺、阿扑吗啡、阿托品、苯海索、比哌立登、溴隐亭、卡麦角林、卡比多巴和西酞普兰,与关键的EOPD相关诊断标志物相互作用,表明它们具有药物再利用的潜力。通过具有统计学意义的药物-靶点对加强了所构建功能网络的有效性。这些发现为EOPD药物机制提供了新的见解,并确定了有前景的治疗候选物,可能为EOPD患者带来更有效、个性化的治疗方法。