Literature DB >> 14554012

A 'rule of three' for fragment-based lead discovery?

Miles Congreve1, Robin Carr, Chris Murray, Harren Jhoti.   

Abstract

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Year:  2003        PMID： 14554012     DOI： 10.1016/s1359-6446(03)02831-9

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN： 1359-6446            Impact factor:   7.851


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  270 in total

1.  Computational fragment-based screening using RosettaLigand: the SAMPL3 challenge.

Authors:  Ashutosh Kumar; Kam Y J Zhang
Journal:  J Comput Aided Mol Des       Date:  2012-01-15       Impact factor: 3.686

2.  Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies.

Authors:  Alexey A Zeifman; Victor S Stroylov; Fedor N Novikov; Oleg V Stroganov; Alexandra L Zakharenko; Svetlana N Khodyreva; Olga I Lavrik; Ghermes G Chilov
Journal:  J Mol Model       Date:  2011-11-09       Impact factor: 1.810

3.  Focused enumeration and assessing the structural diversity of scaffold libraries: conformationally restricted bicyclic secondary diamines.

Authors:  Oleksandr O Grygorenko; Roman Prytulyak; Dmitriy M Volochnyuk; Volodymyr Kudrya; Oleksiy V Khavryuchenko; Igor V Komarov
Journal:  Mol Divers       Date:  2012-07-03       Impact factor: 2.943

4.  Combinatorially-generated library of 6-fluoroquinolone analogs as potential novel antitubercular agents: a chemometric and molecular modeling assessment.

Authors:  Nikola Minovski; Andrej Perdih; Tom Solmajer
Journal:  J Mol Model       Date:  2011-08-12       Impact factor: 1.810

5.  Exploring different strategies for imbalanced ADME data problem: case study on Caco-2 permeability modeling.

Authors:  Hai Pham-The; Gerardo Casañola-Martin; Teresa Garrigues; Marival Bermejo; Isabel González-Álvarez; Nam Nguyen-Hai; Miguel Ángel Cabrera-Pérez; Huong Le-Thi-Thu
Journal:  Mol Divers       Date:  2015-12-07       Impact factor: 2.943

6.  Quantifying the chemical beauty of drugs.

Authors:  G Richard Bickerton; Gaia V Paolini; Jérémy Besnard; Sorel Muresan; Andrew L Hopkins
Journal:  Nat Chem       Date:  2012-01-24       Impact factor: 24.427

Review 7.  Perspectives on NMR in drug discovery: a technique comes of age.

Authors:  Maurizio Pellecchia; Ivano Bertini; David Cowburn; Claudio Dalvit; Ernest Giralt; Wolfgang Jahnke; Thomas L James; Steve W Homans; Horst Kessler; Claudio Luchinat; Bernd Meyer; Hartmut Oschkinat; Jeff Peng; Harald Schwalbe; Gregg Siegal
Journal:  Nat Rev Drug Discov       Date:  2008-09       Impact factor: 84.694

8.  Human melanoma inhibitory protein binds to the FN12-14 Hep II domain of fibronectin.

Authors:  King Tuo Yip; Xueyin Zhong; Nadia Seibel; Oliver Arnolds; Miriam Schöpel; Raphael Stoll
Journal:  Biointerphases       Date:  2017-05-31       Impact factor: 2.456

9.  Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5.

Authors:  Yuemin Bian; Zhiwei Feng; Peng Yang; Xiang-Qun Xie
Journal:  AAPS J       Date:  2017-05-30       Impact factor: 4.009

10.  Discovery and Characterization of Two Classes of Selective Inhibitors of the Suppressor of the TCR Signaling Family of Proteins.

Authors:  Weijie Zhou; Yue Yin; Emery Smith; Jacqueline Chou; Justin Shumate; Louis Scampavia; Timothy P Spicer; Nicholas Carpino; Jarrod B French
Journal:  ACS Infect Dis       Date:  2018-12-14       Impact factor: 5.084
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