Dora David, Dora Timea, Szegvari Gabor, Gerdán Csongor, Lohinai Zoltan
Department of Anatomy, Histology, and Embryology, Semmelweis University, Tuzolto st. 58, Budapest, 1094, Hungary.
Department of Management and Business Economics, Budapest University of Technology and Economics, Budapest, Hungary.
BioData Min. 2022 Oct 1;15(1):25. doi: 10.1186/s13040-022-00307-9.
The expanding body of potential therapeutic targets requires easily accessible, structured, and transparent real-time interpretation of molecular data. Open-access genomic, proteomic and drug-repurposing databases transformed the landscape of cancer research, but most of them are difficult and time-consuming for casual users. Furthermore, to conduct systematic searches and data retrieval on multiple targets, researchers need the help of an expert bioinformatician, who is not always readily available for smaller research teams. We invite research teams to join and aim to enhance the cooperative work of more experienced groups to harmonize international efforts to overcome devastating malignancies. Here, we integrate available fundamental data and present a novel, open access, data-aggregating, drug repurposing platform, deriving our searches from the entries of Clue.io. We show how we integrated our previous expertise in small-cell lung cancer (SCLC) to initiate a new platform to overcome highly progressive cancers such as triple-negative breast and pancreatic cancer with data-aggregating approaches. Through the front end, the current content of the platform can be further expanded or replaced and users can create their drug-target list to select the clinically most relevant targets for further functional validation assays or drug trials. EZCancerTarget integrates searches from publicly available databases, such as PubChem, DrugBank, PubMed, and EMA, citing up-to-date and relevant literature of every target. Moreover, information on compounds is complemented with biological background information on eligible targets using entities like UniProt, String, and GeneCards, presenting relevant pathways, molecular- and biological function and subcellular localizations of these molecules. Cancer drug discovery requires a convergence of complex, often disparate fields. We present a simple, transparent, and user-friendly drug repurposing software to facilitate the efforts of research groups in the field of cancer research.
不断增加的潜在治疗靶点需要对分子数据进行易于获取、结构化且透明的实时解读。开放获取的基因组学、蛋白质组学和药物再利用数据库改变了癌症研究的格局，但对于普通用户来说，其中大多数使用起来既困难又耗时。此外，要对多个靶点进行系统搜索和数据检索，研究人员需要专业生物信息学家的帮助，而小型研究团队往往难以随时获得这种帮助。我们邀请研究团队加入，旨在加强经验更丰富的团队之间的合作，以协调国际力量来攻克毁灭性的恶性肿瘤。在此，我们整合现有基础数据，推出一个新颖的、开放获取的、数据聚合的药物再利用平台，我们的搜索来源于Clue.io的条目。我们展示了如何整合我们之前在小细胞肺癌（SCLC）方面的专业知识，以启动一个新平台，通过数据聚合方法来攻克三阴性乳腺癌和胰腺癌等高侵袭性癌症。通过前端，该平台的当前内容可以进一步扩展或替换，用户可以创建自己的药物-靶点列表，以选择临床上最相关的靶点进行进一步的功能验证试验或药物试验。EZCancerTarget整合了来自公共可用数据库（如PubChem、DrugBank、PubMed和EMA）的搜索结果，引用了每个靶点的最新相关文献。此外，使用UniProt、String和GeneCards等实体，化合物信息还补充了符合条件靶点的生物学背景信息，展示了这些分子的相关通路、分子和生物学功能以及亚细胞定位。癌症药物发现需要复杂且往往相互独立的领域之间的融合。我们推出了一个简单、透明且用户友好的药物再利用软件，以促进癌症研究领域研究团队的工作。
