Design, Synthesis, and Evaluation of Nucleobase, Nucleoside, and Nucleotide Analogues

Dear Colleagues,

Since the initial approval of cytarabine, a cytidine analogue, in 1969 by US Food and Drug Administration to treat acute myeloid leukemia, numerous analogues and derivatives of nucleobases, nucleosides, and nucleotides have been developed as anticancer and antiviral agents. Notable examples include 5-fluorouracil, a uracil analogue, for the treatment of various cancers; tenofovir, an analogue of deoxyadenosine 5'-monophosphate, for the treatment of chronic hepatitis B; and most recently, molnupiravir, a cytidine analogue, for the treatment of COVID-19. Not only can such analogues and derivatives be incorporated into nucleic acids, but they can also act on enzymes such as polymerases, kinases, and other transferases thanks to their structural mimicry of the endogenous substrate, cofactor, and/or modulator, expanding their therapeutic potential beyond cancer and viral infections.  

However, the emergence of novel nucleot(s)ide-recognizing therapeutic targets in recent years requires new nucleot(s)ide-mimicking probes and/or drugs, while there are issues of drug resistance, toxicity, and oral bioavailability for many existing analogues of nucleobases, nucleosides, and nucleotides. Therefore, the development of new agents and the examination of their biological effects are needed. 

This Special Issue aims to collect research articles and reviews on the design, (bio)synthesis, and biological evaluation of analogues and derivatives of nucleobases, nucleosides, and nucleotides. Structural and functional investigations of endogenous nucleot(s)ides, including dinucleotides and oligonucleotides, are also welcome. In addition, contributions of computational studies on such analogues and derivatives are highly encouraged.

Dr. Yun Shi
Guest Editor

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• nucleobase
• nucleoside
• nucleotide
• drug design
• structural mimicry
• enzyme inhibitors
• anticancer agents
• antivirals