Advances in Chemical Research on Biomarkers, Drugs of Abuse, Medicines, and Computational Approaches
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 31 January 2026 | Viewed by 468
Special Issue Editor
Interests: pharmacogenomics; personalized medicine; toxicogenomics; bioinformatics; predictive toxicology
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
We invite submissions for a Special Issue focused on cutting-edge advancements in chemical research on biomarkers, drugs of abuse, therapeutic agents, and computational approaches (particularly those exploring protein structures). This Special Issue will highlight interdisciplinary methodologies, spanning both experimental and computational research, that contribute to the identification, quantification, and analysis of biomarkers, drugs, and novel medicines.
This Special Issue seeks contributions on innovative bioanalytical methods for detecting disease biomarkers and drugs of abuse, new therapeutic agents, and molecular mechanisms, especially those elucidating protein structure and function. Research that leverages high-resolution analytical techniques (e.g., time-of-flight, Orbitrap, and mass spectrometry), as well as advanced computational methods such as molecular dynamics simulations, protein-ligand docking, and machine learning models, is particularly encouraged. We also welcome submissions focused on novel sample preparation methods, especially those promoting low-sample, low-cost, and low-solvent usage, as well as the analysis of alternative samples.
We invite original research articles, short communications, and reviews, with topics including the following:
- Experimental and computational methods for biomarker discovery and disease diagnosis;
- Detection and monitoring of drugs of abuse and novel psychoactive substances;
- Bioanalytical and computational approaches in drug design, therapeutic monitoring, and pharmacokinetics;
- Innovations in sample preparation techniques for complex biological matrices;
- Protein structure and function studies, including the computational modeling of interactions with drugs or biomarkers;
- Applications of bioanalytical and computational techniques in personalized medicine, toxicology, and pharmaceutical sciences.
This Special Issue will serve as a comprehensive resource for researchers and professionals in chemistry, bioinformatics, pharmacology, biotechnology, and toxicology, providing cross-disciplinary insights and enabling future advancements.
Dr. Huixiao Hong
Guest Editor
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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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
- biomarker discovery
- drugs of abuse
- therapeutic agents
- protein structure analysis
- computational drug design
- bioanalytical methods
- mass spectrometry
- molecular dynamics simulations
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