Literature DB >> 22190348

Fragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexes.

Marc Nazaré1, Hans Matter, David W Will, Michael Wagner, Matthias Urmann, Jörg Czech, Herman Schreuder, Armin Bauer, Kurt Ritter, Volkmar Wehner.   

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Year:  2011        PMID： 22190348     DOI： 10.1002/anie.201107091

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  12 in total

Review 1.  Applying thermodynamic profiling in lead finding and optimization.

Authors:  Gerhard Klebe
Journal:  Nat Rev Drug Discov       Date:  2015-01-23       Impact factor: 84.694

2.  Pairwise binding competition experiments for sorting hub-protein/effector interaction hierarchy and simultaneous equilibria.

Authors:  Enrico Ravera; Azzurra Carlon; Giacomo Parigi
Journal:  J Biomol NMR       Date:  2014-09       Impact factor: 2.835

3.  Novel 2-aminobenzamides as potential orally active antithrombotic agents.

Authors:  Amit Verma; Rajani Giridhar; Ashish Kanhed; Anshuman Sinha; Pratik Modh; Mange R Yadav
Journal:  ACS Med Chem Lett       Date:  2012-10-31       Impact factor: 4.345

4.  Peptide Tethering: Pocket-Directed Fragment Screening for Peptidomimetic Inhibitor Discovery.

Authors:  Ashley E Modell; Frank Marrone; Nihar R Panigrahi; Yingkai Zhang; Paramjit S Arora
Journal:  J Am Chem Soc       Date:  2022-01-14       Impact factor: 15.419

5.  Dissecting fragment-based lead discovery at the von Hippel-Lindau protein:hypoxia inducible factor 1α protein-protein interface.

Authors:  Inge Van Molle; Andreas Thomann; Dennis L Buckley; Ernest C So; Steffen Lang; Craig M Crews; Alessio Ciulli
Journal:  Chem Biol       Date:  2012-10-26

6.  Creating novel activated factor XI inhibitors through fragment based lead generation and structure aided drug design.

Authors:  Ola Fjellström; Sibel Akkaya; Hans-Georg Beisel; Per-Olof Eriksson; Karl Erixon; David Gustafsson; Ulrik Jurva; Daiwu Kang; David Karis; Wolfgang Knecht; Viveca Nerme; Ingemar Nilsson; Thomas Olsson; Alma Redzic; Robert Roth; Jenny Sandmark; Anna Tigerström; Linda Öster
Journal:  PLoS One       Date:  2015-01-28       Impact factor: 3.240

7.  Substrate Fragmentation for the Design of M. tuberculosis CYP121 Inhibitors.

Authors:  Madeline E Kavanagh; Janine L Gray; Sophie H Gilbert; Anthony G Coyne; Kirsty J McLean; Holly J Davis; Andrew W Munro; Chris Abell
Journal:  ChemMedChem       Date:  2016-07-19       Impact factor: 3.466

8.  A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.

Authors:  Claudia De Fusco; Paul Brear; Jessica Iegre; Kathy Hadje Georgiou; Hannah F Sore; Marko Hyvönen; David R Spring
Journal:  Bioorg Med Chem       Date:  2017-04-30       Impact factor: 3.641

Review 9.  Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.

Authors:  José T Moreira-Filho; Arthur C Silva; Rafael F Dantas; Barbara F Gomes; Lauro R Souza Neto; Jose Brandao-Neto; Raymond J Owens; Nicholas Furnham; Bruno J Neves; Floriano P Silva-Junior; Carolina H Andrade
Journal:  Front Immunol       Date:  2021-05-31       Impact factor: 7.561

10.  Ligand-induced protein mobility in complexes of carbonic anhydrase II and benzenesulfonamides with oligoglycine chains.

Authors:  Vijay M Krishnamurthy; Venkata S Raman; Richard A Mowery; Michelle Hentz; James D Baleja; Bryan F Shaw; Krishna Kumar
Journal:  PLoS One       Date:  2013-03-05       Impact factor: 3.240
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