PMID: 22336919DOI: 10.1039/c2ob00034bFeb 18, 2012Paper
Tuning and predicting biological affinity: aryl nitriles as cysteine protease inhibitors
Organic & Biomolecular Chemistry
Veronika EhmkeFrançois Diederich
Abstract
A series of aryl nitrile-based ligands were prepared to investigate the effect of their electrophilicity on the affinity against the cysteine proteases rhodesain and human cathepsin L. Density functional theory calculations provided relative reactivities of the nitriles, enabling prediction of their biological affinity and cytotoxicity and a clear structure-activity relationship.
References
Jun 1, 1995·Journal of Computer-aided Molecular Design·P R Gerber, K Müller
Jul 18, 1995·Biochemistry·E DufourR Ménard
Jan 1, 1993·Annual Review of Microbiology·J H McKerrowJ Bouvier
Feb 12, 2000·Journal of Medicinal Chemistry·D LeungD P Fairlie
Jul 24, 2001·Current Drug Targets·C R CaffreyD Steverding
Feb 5, 1997·Chemical Reviews·Hans-Hartwig Otto, Tanja Schirmeister
Jun 5, 2002·Annual Review of Biochemistry·Michael Klemba, Daniel E Goldberg
Dec 12, 2002·Chemical Reviews·Fabien LecailleDieter Brömme
Apr 14, 2006·Current Topics in Medicinal Chemistry·Radim VicikTanja Schirmeister
Sep 7, 2006·Nature Reviews. Drug Discovery·Boris Turk
Dec 13, 2006·Bioorganic & Medicinal Chemistry Letters·Renata M OballaCarl Berthelette
Jul 22, 2009·The Journal of Biological Chemistry·Iain D KerrLinda S Brinen
Oct 17, 2009·Lancet·Reto BrunChristian Burri
Jun 15, 2010·PLoS Neglected Tropical Diseases·Iain D KerrLinda S Brinen
Aug 3, 2010·Journal of Medicinal Chemistry·Jose M CoterónJose M Fiandor
Sep 2, 2010·Journal of Medicinal Chemistry·Fraser F FlemingBrian C Shook
Sep 3, 2010·Nature Reviews. Drug Discovery·Marcin Drag, Guy S Salvesen
Jan 29, 2011·ChemMedChem·Veronika EhmkeFrançois Diederich
May 11, 2011·Journal of the American Chemical Society·Roland Appel, Herbert Mayr
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Citations
Aug 21, 2013·Journal of Medicinal Chemistry·Elizabeth DunnyAndrew J S Knox
Aug 13, 2013·Journal of Medicinal Chemistry·Richard A WardMichael J Waring
Dec 30, 2015·Acta Pharmaceutica Sinica. B·Marton SiklosGregory R J Thatcher
Jun 27, 2015·European Journal of Medicinal Chemistry·Hardeep KaurKamaljit Singh
Jul 16, 2014·European Journal of Medicinal Chemistry·Madura K P JayatungaAndrew D Hamilton
Mar 14, 2017·Journal of Medicinal Chemistry·Bernd KuhnJérôme Hert
Dec 20, 2016·ChemMedChem·Maude GiroudFrançois Diederich
Jan 27, 2015·Organic & Biomolecular Chemistry·Hannelore RückerSabine Amslinger
Mar 27, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Philipp KleinTanja Schirmeister
Jan 30, 2015·Angewandte Chemie·Elke PerschFrançois Diederich
Oct 10, 2013·Chemistry : a European Journal·Nafisah Al-RifaiSabine Amslinger
Apr 21, 2016·ChemMedChem·Maude GiroudFrançois Diederich
Aug 12, 2017·Current Medicinal Chemistry·Rafael Pinto VieiraRafaela Salgado Ferreira
May 10, 2013·ChemMedChem·Veronika EhmkeFrançois Diederich
May 2, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Philipp KleinTanja Schirmeister
Dec 8, 2020·Biophysical Chemistry·Snehasis Banerjee
Mar 23, 2020·Bioorganic Chemistry·Farheen ShamsiMohammad Abid
Jun 8, 2021·RSC Medicinal Chemistry·Vinicius BonattoCarlos A Montanari
Nov 6, 2014·Chemical Research in Toxicology·Sarmistha SinhaBenjamin M Johnson
Nov 15, 2019·ACS Infectious Diseases·Kristaps JaudzemsAinars Leonchiks
May 16, 2014·Journal of Medicinal Chemistry·Rudi OliveiraFrancisca Lopes
Jun 6, 2014·ACS Medicinal Chemistry Letters·Anna BerteottiAndrea Cavalli
May 20, 2020·ACS Medicinal Chemistry Letters·Brittney A KleinBrian D Sykes
Jan 17, 2020·Journal of Chemical Information and Modeling·Clauber H S da CostaCarlos A Montanari
Sep 1, 2021·Journal of Medicinal Chemistry·Elany Barbosa da SilvaRafaela S Ferreira
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