Institute of Organic Chemistry, Semmelweis University, H-1092 Budapest, Hőgyes Endre u. 7, Hungary.
Biomolecular Self-Assembly Research Group, Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, H-1117 Budapest, Magyar Tudósok krt. 2, Hungary.
Nucleic Acids Res. 2021 Jan 8;49(D1):D1102-D1112. doi: 10.1093/nar/gkaa950.
Peptide-drug conjugates are organic molecules composed of (i) a small drug molecule, (ii) a peptide and (iii) a linker. The drug molecule is mandatory for the biological action, however, its efficacy can be enhanced by targeted delivery, which often also reduces unwanted side effects. For site-specificity the peptide part is mainly responsible. The linker attaches chemically the drug to the peptide, but it could also be biodegradable which ensures controlled liberation of the small drug. Despite the importance of the field, there is no public comprehensive database on these species. Herein we describe ConjuPepBD, a freely available, fully annotated and manually curated database of peptide drug conjugates. ConjuPepDB contains basic information about the entries, e.g. CAS number. Furthermore, it also implies their biomedical application and the type of chemical conjugation employed. It covers more than 1600 conjugates from ∼230 publications. The web-interface is user-friendly, intuitive, and useable on several devices, e.g. phones, tablets, PCs. The webpage allows the user to search for content using numerous criteria, chemical structure and a help page is also provided. Besides giving quick insight for newcomers, ConjuPepDB is hoped to be also helpful for researchers from various related fields. The database is accessible at: https://conjupepdb.ttk.hu/.
肽药物偶联物是由(i)小分子药物、(ii)肽和(iii)连接子组成的有机分子。药物分子是生物活性所必需的,但是通过靶向递送可以增强其疗效,这通常也会减少不必要的副作用。肽部分主要负责靶向特异性。连接子通过化学方式将药物连接到肽上,但它也可以是可生物降解的,从而确保小分子药物的受控释放。尽管该领域非常重要,但目前还没有关于这些化合物的公共综合数据库。在此,我们描述了 ConjuPepBD,这是一个免费提供的、全面注释的、人工 curated 的肽药物偶联物数据库。ConjuPepDB 包含有关条目的基本信息,例如 CAS 号。此外,它还暗示了它们的生物医学应用和所采用的化学偶联类型。它涵盖了来自约 230 篇出版物的 1600 多个偶联物。该网页界面用户友好、直观,可在多种设备上使用,例如手机、平板电脑、PC 等。该网页允许用户使用多种标准、化学结构以及帮助页面来搜索内容。除了为新手提供快速的见解外,ConjuPepDB 还希望对来自各个相关领域的研究人员也有所帮助。该数据库可在以下网址获得:https://conjupepdb.ttk.hu/。