Recent Advances in Fragment-Based Drug Discovery
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 31 March 2026 | Viewed by 48
Special Issue Editors
Interests: drug discovery; NMR spectroscopy; structural biology; fragment-based drug design; target-ligand interactions; membrane proteins
Special Issues, Collections and Topics in MDPI journals
Interests: computer-aided drug design; artificial-intelligence-driven drug discovery; protein dynamics; undruggable targets
Special Issue Information
Dear Colleagues,
Fragment-based drug discovery (FBDD) has emerged as a powerful strategy in modern drug discovery, with successful applications across a wide range of targets including proteins, RNA, and macromolecular complexes. To date, several FDA-approved drugs and numerous clinical candidates have been derived from FBDD. With the rapid integration of AI-driven approaches in structural biology and drug discovery, FBDD is poised to play an even more pivotal role in drug discovery, particularly when combined with complementary technologies.
This Special Issue aims to highlight the latest advances and future directions in FBDD. We welcome contributions that discuss the following topics: development of novel fragment libraries with unique features; advances in screening methods and technologies; strategies for fragment growth to improve potency and specificity; synergies between computational and experimental approaches in fragment screening and fragment growth; case studies of hit identification using biochemical, biophysical, and cell-based assays; case studies of lead development from fragments; and applications of FBDD in developing protein degraders. By bringing together diverse perspectives, this Special Issue will showcase how FBDD continues to evolve as a central pillar of drug discovery.
We look forward to receiving your contributions.
Dr. Congbao Kang
Dr. Weijun Xu
Guest Editors
Manuscript Submission Information
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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
- fragment-based screening
- fragment-based drug design
- structure biology
- drug discovery
- protein–ligand interactions
- structure-based drug design
- computation-based drug design
- AI-guided drug discovery
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