Special Issue "DNA and Small Molecular Complex Crystallization"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Biomolecular Crystals".

Deadline for manuscript submissions: 20 July 2021.

Special Issue Editors

Dr. Pu Guo
Guest Editor
Department of Chemistry and Center for Diagnostics and Therapeutics, Georgia State University, Atlanta, GA 30303, USA
Interests: biophysical chemistry; nucleic acid chemistry; chemical biology; organic chemistry; medicinal chemistry
Prof. Dr. Gustavo Portalone
Guest Editor
Structural Chemistry Research Group and X-ray Diffraction Laboratory, Chemistry Department, "Sapienza" University of Rome, 00191 Roma, Italy
Interests: supramolecular chemistry; crystal engineering; canonical and epigenetic nucleobases; hydrogen bond; halogen bond; X-ray single-crystal; X-ray powder diffraction; theoretical calculations; AFM
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Special Issue Information

Dear Colleagues,

Nucleic Acid is called as the key to lives. DNA is the foundation of the life activities of human beings. However, DNAs have attracted much less attention as drug targets in structure-based drug design, partially because limited structural information of DNAs complexed with small active molecules is available. To develop more small molecules drugs based on DNA, we need to investigate the binding mechanism between DNA and small molecules deeply. Therefore, the research on the structure of DNA and complex of DNA and drugs are crucial to human health. The crystallization was a potent tool for the structural analysis of macromolecules like DNA. The crystals of a complex between DNA and small molecule may show the binding mechanism and mode clearly. We can determine the binding mode is minor groove binding, major groove binding, covalent bonds, or intercalator, also locate the hydrogen bonds, halogen bonds, interactions of water molecules, or base pairs covering scope. So, the opportunities and challenges have been faced with discovering DNA-targeting drugs for disease treatments. We seek the research and review articles about any aspect of the complex between DNA and small molecules crystallization including Screening Crystallization Conditions, Affecting Factors of DNA Crystallization, Conventional or Novel Crystallization Methods, Inducing Nucleation, DNA in the free and liganded state, DNA Duplex, Triplex, and Quadruplexes structural analysis, Detecting Crystallization Process, Structural Analysis of Crystals, Improvement of Crystallization methods, etc.

Dr. Pu Guo
Prof. Dr. Gustavo Portalone
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com 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 papers will be 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. Crystals 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 1800 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.


  • DNA and Small Molecules Complex Crystallization
  • Binding between DNA and Small Molecules
  • DNA based Drug Discovery
  • Complex of DNA and Small Molecules Structural Analysis
  • DNA and Small Molecules Binding Mode Determination
  • Biophysical Research on the Binding of DNA and Small Molecules

Published Papers

This special issue is now open for submission.
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