NA-DB: An Online Database of Nucleoside Analogues

Nucleoside analogues (NAs) constitute a class of compounds that mirror the structure of natural nucleosides but undergo chemical modifications, rendering them an important compound resource for drug development as exogenous substitutes for natural nucleosides. Nevertheless, the design of novel NA-based drugs remains a great challenge due to the complexity of asymmetric synthesis and restrained chemical space owing to the strict requirement of hydrogen boding pattern of nucleotides. To facilitate the rational design of NA drugs, we build a specialized database named NA-DB to integrate both structural and annotated biological information about NAs reported in literatures. The database contains around 9074 NAs, which are composed of 4513 base-like fragments and 2602 ribose-like fragments, and a user-friendly web interface is provided to search chemical and biological information on NAs as well as their structural features corresponding to the base and ribose moieties. Simultaneously, multiple analyses were conducted to aid in a comprehensive understanding of the structural characteristics of NAs within the database. NA-DB is freely accessible at http://nadb.idruglab.cn/.