Related ArticlesEvaluation of Michael-type Acceptor Reactivity of 5-Benzylidenebarbiturates, 5-benzylidenerhodanines, and Related Heterocycles Using NMR.
Acta Chim Slov. 2014 Sep;61(3):637-644
Authors: Arsovska E, Trontelj J, Zidar N, Tomaši? T, Maši? LP, Kikelj D, Plavec J, Zega A
Abstract
Despite existing experimental and computational tools to assess the risk, the non-specific chemical modification of protein thiol groups remains a significant source of false-positive hits, particularly in academic drug discovery. Herein, we describe the application of a simple NMR method in a systematic study on the reactivity of 5-benzylidenebarbiturates, 5-benzylidenerhodanines, and their related oxo-heterocycles, which have been associated with numerous biological activities and have recently gained a reputation as unselective promiscuous binders. Using this method, we confirmed the reactivity of 5-benzylidenebarbiturates, which are known to easily form Michael adducts with nucleophiles. In contrast, 5-benzylidene five-membered oxo-heterocycles revealed almost insignificant reactivity. We can conclude that the distinct binding profile of the most controversial compounds, 5-benzylidenerhodanines, is not necessarily related to their unspecific Michael acceptor reactivity.
PMID: 25286221 [PubMed - as supplied by publisher]
[NMR paper] Insights into the Reactivity of Gold-Dithiocarbamato Anticancer Agents toward Model Biomolecules by Using Multinuclear NMR Spectroscopy.
Insights into the Reactivity of Gold-Dithiocarbamato Anticancer Agents toward Model Biomolecules by Using Multinuclear NMR Spectroscopy.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-2250-98-WileyOnlineLibrary-Button_120x27px_FullText.gif Related Articles Insights into the Reactivity of Gold-Dithiocarbamato Anticancer Agents toward Model Biomolecules by Using Multinuclear NMR Spectroscopy.
Chemistry. 2013 Sep 3;
Authors: Boscutti G, Marchiň L, Ronconi L, Fregona D
Abstract
Some...
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09-17-2013 11:36 PM
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads
From The DNP-NMR Blog:
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads
van der Est, A. and P. Poddutoori, Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads. Appl. Magn. Reson., 2013. 44(1-2): p. 301-318.
http://dx.doi.org/10.1007/s00723-012-0420-z
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08-01-2013 12:26 AM
[Ln(BH4)2(THF)2](Ln = Eu, Yb)?A Highly Luminescent Material. Synthesis, Properties,Reactivity, and NMR Studies
(Ln = Eu, Yb)?A Highly Luminescent Material. Synthesis, Properties,Reactivity, and NMR Studies
Sebastian Marks, Joachim G. Heck, Marija H. Habicht, Pascual On?a-Burgos, Claus Feldmann and Peter W. Roesky
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja308077t/aop/images/medium/ja-2012-08077t_0010.gif
Journal of the American Chemical Society
DOI: 10.1021/ja308077t
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/jacsat/~4/qg1aX_-nHEs
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10-10-2012 03:14 PM
[NMR paper] Reactivity of the human thioltransferase (glutaredoxin) C7S, C25S, C78S, C82S mutant
Reactivity of the human thioltransferase (glutaredoxin) C7S, C25S, C78S, C82S mutant and NMR solution structure of its glutathionyl mixed disulfide intermediate reflect catalytic specificity.
Related Articles Reactivity of the human thioltransferase (glutaredoxin) C7S, C25S, C78S, C82S mutant and NMR solution structure of its glutathionyl mixed disulfide intermediate reflect catalytic specificity.
Biochemistry. 1998 Dec 8;37(49):17145-56
Authors: Yang Y, Jao S, Nanduri S, Starke DW, Mieyal JJ, Qin J
Human thioltransferase (TTase) is a 12 kDa...
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11-17-2010 11:15 PM
Michael Gryk's NMR group, University of Connecticut, USA
Below is a copy of information about Gryk's lab from the website of University of Connecticut.
<table width="100%" border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="padding: 10px 20px 20px;" valign="top" width="45%" align="left">Michael R. Gryk
Associate Professor of Molecular, Microbial and Structural Biology
gryk@uchc.edu
B.S., M.S., University of Connecticut
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NMR research groups
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11-01-2010 07:53 PM
[NMR paper] NMR analysis of tRNA acceptor stem microhelices: discriminator base change affects tR
NMR analysis of tRNA acceptor stem microhelices: discriminator base change affects tRNA conformation at the 3' end.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles NMR analysis of tRNA acceptor stem microhelices: discriminator base change affects tRNA conformation at the 3' end.
Proc Natl Acad Sci U S A. 1994 Nov 22;91(24):11467-71
Authors: Puglisi EV, Puglisi JD, Williamson JR, RajBhandary UL
An important step in initiation of protein synthesis in...
Michael Sattler's teaching material
The website of EMBL's Sattler Group contains links to a range of teaching materials:
http://www.embl-heidelberg.de/nmr/sattler/teaching/index.html
There's a lot of useful stuff on their website, but it's pretty difficult to navigate.
The website also has links to some of Claudia Muhle-Goll's biomolecular NMR lectures (PowerPoint):
Lecture 1: Phenomenon of NMR - why do we observe a signal?
Lecture 4: Labelling techniques and heteronuclear backbone assignment
Lecture 5: Product operator formalism
Evaluation of Michael-type Acceptor Reactivity of 5-Benzylidenebarbiturates, 5-benzylidenerhodanines, and Related Heterocycles Using NMR.
Linear Mode
