Related ArticlesA Combined NMR and Computational Approach to Determine the RGDechi-hCit-?v ?3 Integrin Recognition Mode in Isolated Cell Membranes.
Chemistry. 2016 Jan 11;22(2):681-93
Authors: Farina B, de Paola I, Russo L, Capasso D, Liguoro A, Gatto AD, Saviano M, Pedone PV, Di Gaetano S, Malgieri G, Zaccaro L, Fattorusso R
Abstract
The critical role of integrins in tumor progression and metastasis has stimulated intense efforts to identify pharmacological agents that can modulate integrin function. In recent years, ?v ?3 and ?v ?5 integrin antagonists were demonstrated to be effective in blocking tumor progression. RGDechi-hCit, a chimeric peptide containing a cyclic RGD motif linked to an echistatin C-terminal fragment, is able to recognize selectively ?v ?3 integrin both in vitro and in vivo. High-resolution molecular details of the selective ?v ?3 recognition of the peptide are certainly required, nonetheless RGDechi-hCit internalization limited the use of classical in cell NMR experiments. To overcome such limitations, we used WM266 isolated cellular membranes to accomplish a detailed NMR interaction study that, combined with a computational analysis, provides significant structural insights into ?v ?3 molecular recognition by RGDechi-hCit. Remarkably, on the basis of the identified molecular determinants, we design a RGDechi-hCit mutant that is selective for ?v ?5 integrin.
[NMR paper] Q2DSTD NMR deciphers epitope-mapping variability for peptide recognition of integrin ?v?6.
Q2DSTD NMR deciphers epitope-mapping variability for peptide recognition of integrin ?v?6.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.ncbi.nlm.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles Q2DSTD NMR deciphers epitope-mapping variability for peptide recognition of integrin ?v?6.
Org Biomol Chem. 2015 Aug 7;13(29):8001-7
Authors: Sorge JL, Wagstaff JL, Rowe ML, Williamson RA, Howard MJ...
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[NMR paper] Insight to the binding mode of triazole RGD-peptidomimetics to integrin-rich cancer cells by NMR and molecular modeling.
Insight to the binding mode of triazole RGD-peptidomimetics to integrin-rich cancer cells by NMR and molecular modeling.
Related Articles Insight to the binding mode of triazole RGD-peptidomimetics to integrin-rich cancer cells by NMR and molecular modeling.
Bioorg Med Chem. 2016 Jan 14;
Authors: Vasile F, Menchi G, Lenci E, Guarna A, Potenza D, Trabocchi A
Abstract
The binding features of a novel class of 'click chemistry'-derived RGD mimics with integrin ligand capability were studied toward ?v?3 integrin using STD-NMR...
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01-29-2016 04:20 PM
[NMR paper] Position and orientational preferences of drug-like compounds in lipid membranes: a computational and NMR approach.
Position and orientational preferences of drug-like compounds in lipid membranes: a computational and NMR approach.
Position and orientational preferences of drug-like compounds in lipid membranes: a computational and NMR approach.
Phys Chem Chem Phys. 2015 Jul 8;
Authors: Ma J, Domicevica L, Schnell JR, Biggin PC
Abstract
Permeation of drugs across lipid bilayers is a key factor in dictating how effective they will be. In vivo, the issue is compounded by the presence of drug-exporter proteins such as P-glycoprotein....
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07-12-2015 07:12 AM
[NMR paper] A Combined NMR and Computational Approach to Investigate Peptide Binding to a Designed Armadillo Repeat Protein.
A Combined NMR and Computational Approach to Investigate Peptide Binding to a Designed Armadillo Repeat Protein.
A Combined NMR and Computational Approach to Investigate Peptide Binding to a Designed Armadillo Repeat Protein.
J Mol Biol. 2015 Mar 24;
Authors: Ewald C, Christen MT, Watson RP, Mihajlovic M, Zhou T, Honegger A, Plückthun A, Caflisch A, Zerbe O
Abstract
The specific recognition of peptide sequences by proteins plays an important role both in biology and in diagnostic applications. Here we characterize the...
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A Combined NMR and Computational Approach to Investigate Peptide Binding to a Designed Armadillo Repeat Protein
A Combined NMR and Computational Approach to Investigate Peptide Binding to a Designed Armadillo Repeat Protein
Publication date: Available online 24 March 2015
Source:Journal of Molecular Biology</br>
Author(s): Christina Ewald , Martin T. Christen , Randall P. Watson , Maja Mihajlovic , Ting Zhou , Annemarie Honegger , Andreas Plückthun , Amedeo Caflisch , Oliver Zerbe</br>
The specific recognition of peptide sequences by proteins plays an important role both in biology and in diagnostic applications. Here we characterize the relatively weak binding of the...
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03-25-2015 10:15 AM
[NMR paper] NMR evidence for oligosaccharide release from the dendritic-cell specific intercellular adhesion molecule*3-grabbing non-integrin-related (CLEC4M) carbohydrate recognition domain at low pH.
NMR evidence for oligosaccharide release from the dendritic-cell specific intercellular adhesion molecule*3-grabbing non-integrin-related (CLEC4M) carbohydrate recognition domain at low pH.
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 NMR evidence for oligosaccharide release from the dendritic-cell specific intercellular adhesion molecule*3-grabbing non-integrin-related (CLEC4M) carbohydrate recognition domain at low pH.
FEBS J. 2014...
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[NMR paper] Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach.
Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach.
Biochim Biophys Acta. 2014 Mar;1838(3):1031-46
Authors: Zervou M, Cournia Z, Potamitis C, Patargias G, Durdagi S, Grdadolnik SG, Mavromoustakos T
...
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[NMR paper] Determination of the binding epitope of RGD-peptidomimetics to ?v?3 and ?(IIb)?3 integrin-rich intact cells by NMR and computational studies.
Determination of the binding epitope of RGD-peptidomimetics to ?v?3 and ?(IIb)?3 integrin-rich intact cells by NMR and computational studies.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Determination of the binding epitope of RGD-peptidomimetics to ?v?3 and ?(IIb)?3 integrin-rich intact cells by NMR and computational studies.
Org Biomol Chem. 2013 Jun 21;11(23):3886-93
Authors: Guzzetti I, Civera M, Vasile F, Araldi EM, Belvisi L, Gennari C, Potenza D, Fanelli R,...
A Combined NMR and Computational Approach to Determine the RGDechi-hCit-?v ?3 Integrin Recognition Mode in Isolated Cell Membranes.
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