Advances in Protein Structure-Function and Drug Discovery
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Macromolecules".
Deadline for manuscript submissions: 20 March 2026 | Viewed by 1675
Special Issue Editors
Interests: proteolytic enzymes and inhibitors; natural/synthetic inhibitors and ligands; structure-function; proteomics; molecular imaging; drug-discovery and screening
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Proteins are among the most active, essential and sophisticated molecules in the biological world, and key players in the biotechnological and biomedical fields. The roles and functionality of a protein are generally strongly dependent of its defined amino acid sequence, modifications, tridimensional structure (tertiary, quaternary) and environment, that is from its precise structure. Because of this, the structure-function relationships of a protein are considered the core of its behavior and properties, both at the fundamental and biotech/biomed applicative levels. Such properties are also essential when the design and derivation of drugs (inhibitors, activators, regulators ...) is considered for a given protein, or a family of them, and have to be taken into account in the drug discovery procedures and approaches.
In the here launched Special Issue all these components will be considered to promote and select research works addressed to such issue, and particularly on the following items:
- Novelties and refinements on protein structure, protein function and relationships, particularly when related with the discovery and characterization of protein drug-targets. Also, with the derivation or refinement of drugs or drug families from them.
- Structure-based fundamentals of the functionality and specific role of proteins, and on the discovery of drugs that could act on its inhibition, activation or regulation.
- Development and improvement of approaches to facilitate the discovery and derivation of protein-directed drugs or lead compounds, either from natural or synthetic resources.
Prof. Dr. Francesc Xavier Avilés
Prof. Dr. F. Xavier Gomis-Rüth
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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
- protein structure
- protein function
- protein drug target
- inhibition
- protein structure-function
- protein drug discovery
- protein inhibition
- protein activation
- protein regulation
- protein structure-function and evolution
- protein structure-function engineering and design
- protein structure-function and drug discovery
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