Targeted Protein Degradation and Beyond: Integrated Biological, Chemical and Computational Approaches to Proximity-Based Modulation
A special issue of Biomolecules (ISSN 2218-273X).
Deadline for manuscript submissions: closed (31 March 2026) | Viewed by 932
Special Issue Editors
Interests: medicinal chemistry; bioactive heterocyclic compounds; computer-aided drug design; targeted cancer therapy; molecular modeling; organic synthesis
Special Issues, Collections and Topics in MDPI journals
2. NBFC, National Biodiversity Future Center, Piazza Marina 61, 90133 Palermo, Italy
Interests: medicinal chemistry; computational approaches, computer-aided drug design; targeted cancer therapy; molecular modeling; drug development; in silico; breast cancer; design and synthesis; anticancer early drug discovery; covalent inhibition
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The proximity-induced modulation of protein function is revolutionizing drug discovery, enabling control over previously undruggable targets. Rather than acting through classical inhibition, approaches like PROTACs, molecular glues, DUBTACs, LYTACs, and stabilizers induce proximity between proteins to trigger degradation, stabilization, or altered signalling. These strategies are opening new therapeutic avenues in cancer, neurodegeneration, and immune regulation. Designing such molecules demands a multidisciplinary effort spanning medicinal chemistry, chemical biology, and computational modelling. Critical challenges include identifying suitable recruiter elements (e.g., E3 ligases), optimizing linkers for ternary complex formation, and predicting degradation efficiency via in silico tools. Proximity-based drug discovery exemplifies the potential of integrated research. This Special Issue welcomes contributions that focus on the following:
- Design and synthesis of PROTACs, molecular glues, and related platforms;
- AI-assisted degrader design;
- Novel recruiter element discovery;
- SAR studies and linker optimization;
- Molecular modelling of ternary complexes;
- Mechanistic studies in chemical biology.
We invite original research, reviews, and perspectives—experimental or theoretical—that explore these emerging areas. By integrating insights from chemistry, biology, and computation, this Special Issue aims to accelerate innovation in proximity-based therapeutic strategies.
Dr. Gabriele La Monica
Prof. Antonino Lauria
Guest Editors
Manuscript Submission Information
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Keywords
- PROTACs
- protein degradation
- drug discovery
- chemical biology
- ternary complex
- undruggable targets
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