[NMR paper] Finding and characterizing the complexes of drug like molecules with quadruplex DNA: combined use of an enhanced hydroxyl radical cleavage protocol and NMR.
Finding and characterizing the complexes of drug like molecules with quadruplex DNA: combined use of an enhanced hydroxyl radical cleavage protocol and NMR.
Related ArticlesFinding and characterizing the complexes of drug like molecules with quadruplex DNA: combined use of an enhanced hydroxyl radical cleavage protocol and NMR.
PLoS One. 2014;9(4):e96218
Authors: Ranpura H, Bialonska D, Bolton PH
Abstract
Structural information on the complexes of drug like molecules with quadruplex DNAs can aid the development of therapeutics and research tools that selectively target specific quadruplex DNAs. Screening can identify candidate molecules that require additional evaluation. An enhanced hydroxyl radical cleavage protocol is demonstrated that can efficiently provide structural information on the complexes of the candidate molecules with quadruplex DNA. NMR methods have been used to offer additional structural information about the complexes as well as validate the results of the hydroxyl radical approach. This multi-step protocol has been demonstrated on complexes of the chair type quadruplex formed by the thrombin binding aptamer, d(GGTTGGTGTGGTTGG). The hydroxyl radical results indicate that NSC 176319, Cain's quinolinium that was found by screening, exhibits selective binding to the two TT loops. The NMR results are consistent with selective disruption of the hydrogen bonding between T4 and T13 as well as unstacking of these residues from the bottom quartet. Thus, the combination of screening, hydroxyl radical footprinting and NMR can find new molecules that selectively bind to quadruplex DNAs as well as provide structural information about their complexes.
Molecules Discovered for Neurodegenerative Diseases - Drug Discovery & Development
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Drug Discovery & Development
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Molecules Discovered for Neurodegenerative Diseases
Drug Discovery & Development
Researchers used an array of techniques, including X-ray fiber diffraction and nuclear magnetic resonance spectroscopy, to demonstrate the activities of GAIM. They discovered that GAIM effectively binds to multiple types of misfolded proteins during ...
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Molecules Discovered for...
[NMR paper] Direct Evidence for Hydrogen Bonding Between Hydroxyl Groups in Glycans: A Combined NMR and Molecular Dynamics Study.
Direct Evidence for Hydrogen Bonding Between Hydroxyl Groups in Glycans: A Combined NMR and Molecular Dynamics Study.
Related Articles Direct Evidence for Hydrogen Bonding Between Hydroxyl Groups in Glycans: A Combined NMR and Molecular Dynamics Study.
J Phys Chem B. 2013 Mar 26;
Authors: Battistel MD, Pendrill R, Widmalm G, Freedberg DI
Abstract
With this report we introduce the abundant hydroxyl groups of glycans as NMR handles and structural probes that expand the repertoire of tools for structure-function studies on glycans in...
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03-28-2013 04:03 PM
'Scouting' Molecules Give New Direction for Drug Development - HealthCanal.com
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'Scouting' Molecules Give New Direction for Drug Development
HealthCanal.com
Using sophisticated analytical methods, Nuclear Magnetic Resonance (NMR) spectroscopy and X-ray crystallography, Dr Crowley and colleagues were able to visualise how the calixarene sticks to the protein surface. â??Another feature of the calixarene is ...
'Scouting' Molecules Give New Direction for Drug Development - HealthCanal.com
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04-30-2012 05:56 PM
Small molecules against Ebola: NMR reveals drug leads
Small molecules against Ebola: NMR reveals drug leads
There is neither vaccine nor cure for the Ebola virus, which causes fatal haemorrhagic fever in humans. However, a new NMR spectroscopic study by US researchers scientists has led to the discovery of a family of small molecules that apparently bind to the outer protein coat of the virus and halt its entry into human cells, so offering the possibility of an antiviral medication against the disease.
Source: Spectroscopynow.com
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02-15-2011 09:12 AM
[NMR paper] A combined STD-NMR/molecular modeling protocol for predicting the binding modes of th
A combined STD-NMR/molecular modeling protocol for predicting the binding modes of the glycosidase inhibitors kifunensine and salacinol to Golgi alpha-mannosidase II.
Related Articles A combined STD-NMR/molecular modeling protocol for predicting the binding modes of the glycosidase inhibitors kifunensine and salacinol to Golgi alpha-mannosidase II.
Biochemistry. 2005 May 10;44(18):6729-37
Authors: Wen X, Yuan Y, Kuntz DA, Rose DR, Pinto BM
A combined STD-NMR/molecular modeling protocol to probe the binding modes of the glycosidase inhibitors...
Finding and characterizing the complexes of drug like molecules with quadruplex DNA: combined use of an enhanced hydroxyl radical cleavage protocol and NMR.
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