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Special Issue "Fragment-Based Drug Discovery"

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: closed (30 November 2013).

Special Issue Editor

Dr. Alex G. Waterson
Guest Editor
Department of Pharmacology, Vanderbilt University School of Medicine, 2200 Pierce Ave., 442 RRB, Nashville, TN 37232, USA
Interests: synethic organic chemistry; organic chemistry; medicinal chemistry; chemical biology

Special Issue Information

Dear Colleagues,

Fragment-based drug discovery has become an important weapon in the arsenal of modern drug discovery. Fragment screening, using a number of technologies, including advanced biophysical techniques as well as more traditional biochemical and even cell-based assays, has demonstrated a remarkable potential for the discovery of efficient hits for nearly any class of protein target. A particular focus of fragment-based drug discovery has become the identification of hit ligands for types of protein targets that have been considered especially challenging in the past, for example, protein-protein interactions. Optimization of such fragment hits can be accomplished with a wide range of structure-based methods and traditional medicinal chemistry techniques. The popularization and utilization of a number of ligand efficiency metrics has guided the rapid optimization of fragment hits into lead molecules and drug candidates for an ever-increasing range of target classes. Indeed, molecules discovered using fragment-based methods have now been tested in clinical settings and have achieved approval from various regulatory agencies for the treatment of human diseases. Research papers dealing with all aspects of fragment-based drug discovery, including new screening methods, screening results for particularly challenging targets, new techniques and metrics to advance the field, and medicinal chemistry optimizations of fragment-based drug discovery, are welcomed for inclusion into this Special Issue of Molecules. Review articles, particularly those dealing with retrospective analyses of prior successes with fragment-based drug discovery, are also welcomed for inclusion.

Dr. Alex G. Waterson
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at 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 papers will be 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. 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 2000 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.


  • fragment-based drug discovery
  • lead optimization
  • medicinal chemistry
  • fragment screening
  • lead discovery
  • ligand efficiency
  • fragments
  • structure-based drug design

Published Papers

There is no accepted submissions to this special issue at this moment.
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