Literature DB >> 20665758

Discovery of a novel Hsp90 inhibitor by fragment linking.

John J Barker1, Oliver Barker, Stephen M Courtney, Mihaly Gardiner, Thomas Hesterkamp, Osamu Ichihara, Owen Mather, Christian A G N Montalbetti, Annett Müller, Mario Varasi, Mark Whittaker, Christopher J Yarnold.   

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Year:  2010        PMID： 20665758     DOI： 10.1002/cmdc.201000219

Source DB:  PubMed          Journal:  ChemMedChem        ISSN： 1860-7179            Impact factor:   3.466


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  8 in total

1.  Multiple ligand docking by Glide: implications for virtual second-site screening.

Authors:  Márton Vass; Ákos Tarcsay; György M Keserű
Journal:  J Comput Aided Mol Des       Date:  2012-05-26       Impact factor: 3.686

2.  Design of a fragment library that maximally represents available chemical space.

Authors:  M N Schulz; J Landström; K Bright; R E Hubbard
Journal:  J Comput Aided Mol Des       Date:  2011-07-27       Impact factor: 3.686

3.  Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors.

Authors:  Magdalena Korczynska; Daniel D Le; Noah Younger; Elisabet Gregori-Puigjané; Anthony Tumber; Tobias Krojer; Srikannathasan Velupillai; Carina Gileadi; Radosław P Nowak; Eriko Iwasa; Samuel B Pollock; Idelisse Ortiz Torres; Udo Oppermann; Brian K Shoichet; Danica Galonić Fujimori
Journal:  J Med Chem       Date:  2015-12-23       Impact factor: 7.446

4.  Luteolin: a blocker of SARS-CoV-2 cell entry based on relaxed complex scheme, molecular dynamics simulation, and metadynamics.

Authors:  Daniel M Shadrack; Geradius Deogratias; Lucy W Kiruri; Isaac Onoka; John-Mary Vianney; Hulda Swai; Stephen S Nyandoro
Journal:  J Mol Model       Date:  2021-07-08       Impact factor: 1.810

5.  Hsp90 inhibitors, part 2: combining ligand-based and structure-based approaches for virtual screening application.

Authors:  Antonia Caroli; Flavio Ballante; Richard B Wickersham; Federico Corelli; Rino Ragno
Journal:  J Chem Inf Model       Date:  2014-03-04       Impact factor: 4.956

6.  Fragment-Based Drug Design Facilitated by Protein-Templated Click Chemistry: Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin.

Authors:  Milon Mondal; M Yagiz Unver; Asish Pal; Matthijs Bakker; Stephan P Berrier; Anna K H Hirsch
Journal:  Chemistry       Date:  2016-09-07       Impact factor: 5.236

Review 7.  Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions.

Authors:  Alexander Heifetz; Matteo Aldeghi; Ewa I Chudyk; Dmitri G Fedorov; Mike J Bodkin; Philip C Biggin
Journal:  Biochem Soc Trans       Date:  2016-04-15       Impact factor: 5.407

8.  Characterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital Method.

Authors:  Alexander Heifetz; Inaki Morao; M Madan Babu; Tim James; Michelle W Y Southey; Dmitri G Fedorov; Matteo Aldeghi; Michael J Bodkin; Andrea Townsend-Nicholson
Journal:  J Chem Theory Comput       Date:  2020-03-09       Impact factor: 6.006
  8 in total

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