Literature DB >> 27096037

Stacking with No Planarity?

Hakan Gunaydin1, Michael D Bartberger2.   

Abstract

This viewpoint describes the results obtained from matched molecular pair analyses and quantum mechanics calculations that show unsaturated rings found in drug-like molecules may be replaced with their saturated counterparts without losing potency even if they are engaged in stacking interactions with the side chains of aromatic residues.

Keywords:  Stacking; drug design; matched molecular pair

Year:  2016        PMID： 27096037      PMCID： PMC4834644          DOI： 10.1021/acsmedchemlett.6b00099

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  19 in total

1.  Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs.

Authors:  G Kryger; I Silman; J L Sussman
Journal:  Structure       Date:  1999-03-15       Impact factor: 5.006

2.  Drug discovery: Chemical beauty contest.

Authors:  Paul Leeson
Journal:  Nature       Date:  2012-01-25       Impact factor: 49.962

3.  Do special noncovalent pi-pi stacking interactions really exist?

Authors:  Stefan Grimme
Journal:  Angew Chem Int Ed Engl       Date:  2008       Impact factor: 15.336

4.  Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.

Authors:  Bernhard Baum; Laveena Muley; Andreas Heine; Michael Smolinski; David Hangauer; Gerhard Klebe
Journal:  J Mol Biol       Date:  2009-06-09       Impact factor: 5.469

5.  Getting pharmaceutical R&D back on target.

Authors:  Mark E Bunnage
Journal:  Nat Chem Biol       Date:  2011-06       Impact factor: 15.040

Review 6.  Successful generation of structural information for fragment-based drug discovery.

Authors:  Linda Öster; Sofia Tapani; Yafeng Xue; Helena Käck
Journal:  Drug Discov Today       Date:  2015-04-28       Impact factor: 7.851

Review 7.  An analysis of the attrition of drug candidates from four major pharmaceutical companies.

Authors:  Michael J Waring; John Arrowsmith; Andrew R Leach; Paul D Leeson; Sam Mandrell; Robert M Owen; Garry Pairaudeau; William D Pennie; Stephen D Pickett; Jibo Wang; Owen Wallace; Alex Weir
Journal:  Nat Rev Drug Discov       Date:  2015-06-19       Impact factor: 84.694

8.  Identification of influenza endonuclease inhibitors using a novel fluorescence polarization assay.

Authors:  Brandi M Baughman; P Jake Slavish; Rebecca M DuBois; Vincent A Boyd; Stephen W White; Thomas R Webb
Journal:  ACS Chem Biol       Date:  2012-01-19       Impact factor: 5.100

Review 9.  Aromatic rings in chemical and biological recognition: energetics and structures.

Authors:  Laura M Salonen; Manuel Ellermann; François Diederich
Journal:  Angew Chem Int Ed Engl       Date:  2011-04-28       Impact factor: 15.336

10.  Optimization of a Novel Quinazolinone-Based Series of Transient Receptor Potential A1 (TRPA1) Antagonists Demonstrating Potent in Vivo Activity.

Authors:  Laurie B Schenkel; Philip R Olivieri; Alessandro A Boezio; Holly L Deak; Renee Emkey; Russell F Graceffa; Hakan Gunaydin; Angel Guzman-Perez; Josie H Lee; Yohannes Teffera; Weiya Wang; Beth D Youngblood; Violeta L Yu; Maosheng Zhang; Narender R Gavva; Sonya G Lehto; Stephanie Geuns-Meyer
Journal:  J Med Chem       Date:  2016-03-04       Impact factor: 7.446
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  2 in total

1.  Visible Light-Mediated Decarboxylative Alkylation of Pharmaceutically Relevant Heterocycles.

Authors:  Alexandra C Sun; Edward J McClain; Joel W Beatty; Corey R J Stephenson
Journal:  Org Lett       Date:  2018-06-01       Impact factor: 6.005

2.  Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-β-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.

Authors:  Bin Liu; Robert E Lee Trout; Guo-Hua Chu; Daniel McGarry; Randy W Jackson; Jodie C Hamrick; Denis M Daigle; Susan M Cusick; Cecilia Pozzi; Filomena De Luca; Manuela Benvenuti; Stefano Mangani; Jean-Denis Docquier; William J Weiss; Daniel C Pevear; Luigi Xerri; Christopher J Burns
Journal:  J Med Chem       Date:  2019-12-16       Impact factor: 7.446
  2 in total

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