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

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Biopharmaceuticals".

Deadline for manuscript submissions: closed (20 April 2024) | Viewed by 549

Special Issue Editor

Institute for Glycomics, Griffith University, Southport, QLD 4222, Australia
Interests: Enzyme activity and inhibition; structural and chemical biology; computational chemistry; machine learning; medicinal chemistry

Special Issue Information

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

Manuscript Submission Information

Manuscripts should be submitted online at by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Pharmaceuticals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


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

Published Papers

There is no accepted submissions to this special issue at this moment.
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