From Drugs to Xenobiotics: What Pharmacological Properties Are Involved?

Dear Colleagues,

Drugs are intentionally designed to interact with biological targets to produce therapeutic effects, yet once administered they also become xenobiotics—foreign chemical entities that are subject to biotransformation, distribution, and elimination by the organism. The transition from “drug” to “xenobiotic” is therefore not merely semantic, but reflects a dynamic interplay between pharmacological activity and toxicological fate. This Special Issue aims to explore this interface by integrating pharmacokinetics, pharmacodynamics, and toxicology to understand how molecular and biological factors determine whether a compound remains beneficial or becomes harmful.

The main objective of this Special Issue is to provide a mechanistic and translational framework for understanding how pharmacological properties—such as lipophilicity, metabolic stability, enzyme interactions, transporter affinity, and molecular structure—govern the behavior of drugs as xenobiotics in biological systems. By doing so, the Special Issue seeks to advance predictive and preventive strategies for drug-induced toxicity, interindividual variability, and long-term safety risks.

Within this theme, the Special Issue will encompass several interconnected subareas, including but not limited to the following: (i) drug metabolism and biotransformation pathways, particularly the role of cytochrome P450 enzymes and phase II conjugation systems; (ii) formation and toxicological relevance of reactive or bioactive metabolites; (iii) pharmacokinetic–toxicokinetic relationships influencing systemic exposure and tissue accumulation; (iv) transporter-mediated drug disposition and xenobiotic clearance; (v) molecular and cellular mechanisms underlying adverse drug reactions; and (vi) computational, in vitro, and in vivo approaches for predicting xenobiotic behavior and toxicity.

We welcome original research articles, reviews, and mechanistic or translational studies from disciplines including pharmacology, toxicology, medicinal chemistry, pharmaceutical sciences, systems biology, and regulatory science. Contributions addressing experimental, clinical, and modeling-based approaches are particularly encouraged. By bringing together these perspectives, this Special Issue aims to strengthen the conceptual and practical links between drug design, therapeutic use, and xenobiotic risk, contributing to safer and more effective pharmacotherapy.

Dr. Luciana Scotti
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 250 words) can be sent to the Editorial Office for assessment.

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. Journal of Xenobiotics 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 1600 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.

• pharmacokinetics
• pharmacodynamics
• xenobiotic metabolism
• cytochrome P450