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Recent Advances in Fragment-Based Drug Discovery

This special issue belongs to the section “Medicinal Chemistry“.

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

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. 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

  • 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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Molecules - ISSN 1420-3049