Design of Bioactive Agents and Interaction with Biological Systems
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biology".
Deadline for manuscript submissions: 20 December 2025 | Viewed by 1444
Special Issue Editor
2. Department of Chemical Biology, Faculty of Science, Palacky University, Olomouc, Slechtitelu 27, 78371 Olomouc, Czech Republic
Interests: medicinal chemistry; drug design; structure–activity relationships; pharmaceutical analysis; polymorphism; drug bioavailability; ADME; nanoparticles; nanoformulations; controlled/targeted delivery
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Knowledge of the structure of biomolecules and awareness of their interactions with natural, semi-synthetic, or synthetic molecules forms the content of chemical biology and is generally thought of as a research priority in the biomedical, agricultural, and environmental sciences. Chemical biology has become an important multidisciplinary bridge between chemistry and biology, dealing with the study of small molecules, peptidomimetics, or peptides and their interaction in various biological systems. After absorption of the bioactive compound, the biological system is affected by its binding to the target site in the biomolecule. The priority is to design/find a structurally specific agent with a defined mechanism of action that does not act off-target, i.e., is not potentially toxic. In addition to studying the structure and dynamics of biomolecules and crystallography with specific bioactive agents, omics studies (such as proteomics, metabolomics, metagenomics, transcriptomics, etc.) have become a very powerful tool in investigating the influence of interactions of new molecules with unknown mechanisms of action and revealing the effects/manifests/behaviors of bioactive agents in cells.
This Special Issue is addressed to all scientists involved in the structure and analysis of biomolecules and the design, discovery, and development of biologically active molecules and materials and their interactions. Both works of a theoretical nature and manuscripts focused on the abovementioned topics at the in vitro/ex vivo and in vivo levels are desirable. Contributions dealing with the structure of receptors, influencing enzymatic cascades, and omics studies are also invited.
I am pleased to invite you to participate in this Special Issue, entitled "Design of Bioactive Agents and Interaction with Biological Systems". Research papers, up-to-date review articles, and communications are all welcome to be submitted to this Special Issue.
Prof. Dr. Josef Jampilek
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
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Keywords
- natural and synthetic compounds
- bioactive agents and materials
- design and discovery
- targeting
- intermolecular interactions
- omics
- structure and dynamics of biomolecules
- theoretical analysis of biomolecular structures
- analytical and biophysical methods
- molecular biology/biochemistry
- chemical biology/biological chemistry
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