Structural Studies in Drug Discovery and Development: From the Lead to the Pharmaceutical Form, 2nd Edition
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".
Deadline for manuscript submissions: 31 May 2025 | Viewed by 783
Special Issue Editors
Interests: diffraction techniques; structure elucidation; conformation of bioactive compounds; antitubercular and anticancer agents; metal complexes; protein–protein interaction inhibitors; enzymatic inhibitors; multi-target drugs
Special Issues, Collections and Topics in MDPI journals
Interests: diffraction techniques; structure elucidation; conformation of bioactive compounds; antitubercular and anticancer agents; metal complexes; protein–protein interaction inhibitors; enzymatic inhibitors; multi-target drugs
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Following the remarkable success of the first edition of the Special Issue “Structural Studies in Drug Discovery and Development: From the Lead to the Pharmaceutical Form” (https://www.mdpi.com/journal/crystals/special_issues/Pharmaceutical_Form), which published 10 articles, we are pleased to announce the second edition of this Special Issue.
Crystallography is an invaluable tool in the pharmaceutical field for the study of both ligands and biological targets. In the early stages of the drug discovery process, single-crystal X-ray diffraction (SC-XRD) is a necessary resource for the synthesis of many compounds. For instance, it supports the correct identification of isomers when the results provided by other techniques prove inconclusive. Even more importantly, it allows the definition of the absolute configuration of stereoisomers. The study of atropisomers or the investigation of the coordination chemistry of metallodrugs constitute other notable examples of the several applications of SC-XRD in drug discovery. Furthermore, the important contribution of structural biology in the definition of the binding mode of compounds to their molecular targets should also be acknowledged. However, the relevance of crystallography is not limited to the lead selection and development phases. An extensive analysis of the solid state, especially when focused on the study of intermolecular interactions and crystal packing, is fundamental for the examination of polymorphic forms and co-crystals. These data are often pivotal for the identification of the most suitable pharmaceutical form and to derive information on its solubility and stability.
Based on these premises, we would be pleased if you would agree to contribute either an original research paper, a short communication, or a focus review to this Special Issue.
Dr. Matteo Mori
Dr. Fiorella Meneghetti
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 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. 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 2100 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.
Keywords
- single-crystal X-ray diffraction
- structural analysis
- spectroscopic methods
- spectrometric methods
- pharmaceutical compounds
- biologically active molecules
- organic molecules
- metal complexes
- synthetic intermediates
- atropisomers
- absolute configuration
- asymmetric synthesis
- catalysis
- mechanistic investigations
- polymorphism
- co-crystals
- solubility
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.
Further information on MDPI's Special Issue polices can be found here.
