Literature DB >> 23845999

The 'rule of three' for fragment-based drug discovery: where are we now?

Harren Jhoti, Glyn Williams, David C Rees, Christopher W Murray.   

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Year:  2013        PMID： 23845999     DOI： 10.1038/nrd3926-c1

Source DB:  PubMed          Journal:  Nat Rev Drug Discov        ISSN： 1474-1776            Impact factor:   84.694


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  8 in total

Review 1.  Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.

Authors:  C A Lipinski; F Lombardo; B W Dominy; P J Feeney
Journal:  Adv Drug Deliv Rev       Date:  2001-03-01       Impact factor: 15.470

Review 2.  Molecular complexity and its impact on the probability of finding leads for drug discovery.

Authors:  M M Hann; A R Leach; G Harper
Journal:  J Chem Inf Comput Sci       Date:  2001 May-Jun

Review 3.  The influence of the 'organizational factor' on compound quality in drug discovery.

Authors:  Paul D Leeson; Stephen A St-Gallay
Journal:  Nat Rev Drug Discov       Date:  2011-09-30       Impact factor: 84.694

4.  A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.

Authors:  Helene Köster; Tobias Craan; Sascha Brass; Christian Herhaus; Matthias Zentgraf; Lars Neumann; Andreas Heine; Gerhard Klebe
Journal:  J Med Chem       Date:  2011-10-25       Impact factor: 7.446

Review 5.  Reaching for high-hanging fruit in drug discovery at protein-protein interfaces.

Authors:  James A Wells; Christopher L McClendon
Journal:  Nature       Date:  2007-12-13       Impact factor: 49.962

6.  Fragment-based lead discovery grows up.

Authors:  Monya Baker
Journal:  Nat Rev Drug Discov       Date:  2013-01       Impact factor: 84.694

7.  Natural-product-derived fragments for fragment-based ligand discovery.

Authors:  Björn Over; Stefan Wetzel; Christian Grütter; Yasushi Nakai; Steffen Renner; Daniel Rauh; Herbert Waldmann
Journal:  Nat Chem       Date:  2012-12-02       Impact factor: 24.427

8.  Route to three-dimensional fragments using diversity-oriented synthesis.

Authors:  Alvin W Hung; Alex Ramek; Yikai Wang; Taner Kaya; J Anthony Wilson; Paul A Clemons; Damian W Young
Journal:  Proc Natl Acad Sci U S A       Date:  2011-04-11       Impact factor: 11.205
  8 in total
  59 in total

Review 1.  Evolutions in fragment-based drug design: the deconstruction-reconstruction approach.

Authors:  Haijun Chen; Xiaobin Zhou; Ailan Wang; Yunquan Zheng; Yu Gao; Jia Zhou
Journal:  Drug Discov Today       Date:  2014-09-27       Impact factor: 7.851

2.  Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.

Authors:  George T Lountos; Xue Zhi Zhao; Evgeny Kiselev; Joseph E Tropea; Danielle Needle; Yves Pommier; Terrence R Burke; David S Waugh
Journal:  Nucleic Acids Res       Date:  2019-11-04       Impact factor: 16.971

3.  Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues.

Authors:  Jacek Kwiatkowski; Nithya Baburajendran; Anders Poulsen; Boping Liu; Doris Hui Ying Tee; Yun Xuan Wong; Zhi Ying Poh; Esther Hq Ong; Nurul Dinie; Joseph Cherian; Anna Elisabet Jansson; Jeffrey Hill; Thomas H Keller; Alvin W Hung
Journal:  ACS Med Chem Lett       Date:  2019-02-15       Impact factor: 4.345

4.  Identification of potential glutaminyl cyclase inhibitors from lead-like libraries by in silico and in vitro fragment-based screening.

Authors:  Mária Szaszkó; István Hajdú; Beáta Flachner; Krisztina Dobi; Csaba Magyar; István Simon; Zsolt Lőrincz; Zoltán Kapui; Tamás Pázmány; Sándor Cseh; György Dormán
Journal:  Mol Divers       Date:  2017-01-09       Impact factor: 2.943

5.  Multiple Target Drug Design Using LigBuilder 3.

Authors:  Xiaoyu Qing; Shiwei Wang; Yaxia Yuan; Jianfeng Pei; Luhua Lai
Journal:  Methods Mol Biol       Date:  2021

Review 6.  Fragment-based inhibitor discovery against β-lactamase.

Authors:  Derek A Nichols; Adam R Renslo; Yu Chen
Journal:  Future Med Chem       Date:  2014-03       Impact factor: 3.808

Review 7.  The role of ligand efficiency metrics in drug discovery.

Authors:  Andrew L Hopkins; György M Keserü; Paul D Leeson; David C Rees; Charles H Reynolds
Journal:  Nat Rev Drug Discov       Date:  2014-02       Impact factor: 84.694

8.  Nexus between protein-ligand affinity rank-ordering, biophysical approaches, and drug discovery.

Authors:  M Ashley Spies
Journal:  ACS Med Chem Lett       Date:  2013-09-19       Impact factor: 4.345

9.  Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.

Authors:  Clemens Scheufler; Henrik Möbitz; Christoph Gaul; Christian Ragot; Céline Be; César Fernández; Kim S Beyer; Ralph Tiedt; Frédéric Stauffer
Journal:  ACS Med Chem Lett       Date:  2016-06-06       Impact factor: 4.345

Review 10.  Targeting Non-Catalytic Cysteine Residues Through Structure-Guided Drug Discovery.

Authors:  Kenneth K Hallenbeck; David M Turner; Adam R Renslo; Michelle R Arkin
Journal:  Curr Top Med Chem       Date:  2017       Impact factor: 3.295
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