Related ArticlesSTD NMR and molecular modelling insights into interaction of novel mannose-based ligands with DC-SIGN.
Org Biomol Chem. 2016 Jan 21;14(3):862-75
Authors: Kotar A, Tomaši? T, Lenar?i? Živkovi? M, Jug G, Plavec J, Anderluh M
Abstract
Study of interaction of mannose-based ligands with receptor DC-SIGN using high resolution NMR in combination with molecular modelling showed that four ?-d-mannoside ligands interact with the binding site predominantly through the mannose moiety. The other two aromatic groups that are bound to ?-d-mannose through a glycerol linker demonstrate interaction that can be related to their substitution pattern. Ligand with naphthyl and meta-substituted phenyl ring exhibited the most favourable binding characteristics. In addition to the predicted hydrophobic interactions of aromatic moieties our results propose new contacts of substituted phenyl moiety in the more polar area of the flat binding site of DC-SIGN and thus offer new possibilities in further designing of novel, more potent DC-SIGN antagonists.
[NMR paper] Molecular Level Insights on Collagen-Polyphenols Interaction using Spin-Relaxation and Saturation Transfer Difference NMR.
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J Phys Chem B. 2015 Oct 8;
Authors: Reddy RR, Phani Kumar BV, Shanmugam G, Madhan B, Mandal AB
Abstract
Interaction of small molecules with collagen has far reaching consequences in biological and industrial processes. The interaction between collagen and selected...
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[NMR paper] 3D structure of a heparin mimetic analogue of a FGF-1 activator. A NMR and molecular modelling study.
3D structure of a heparin mimetic analogue of a FGF-1 activator. A NMR and molecular modelling study.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles 3D structure of a heparin mimetic analogue of a FGF-1 activator. A NMR and molecular modelling study.
Org Biomol Chem. 2013 Dec 21;11(47):8269-75
Authors: Muñoz-García JC, Solera C, Carrero P, de Paz JL, Angulo J, Nieto PM
Abstract
The motional behaviour of heparin oligosaccharides in solution is...
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07-06-2014 08:28 PM
[Question from NMRWiki Q&A forum] 1-2 yrs funding to complete Ph.D. in Chemistry (Ionophores NMR Molecular Modelling)
1-2 yrs funding to complete Ph.D. in Chemistry (Ionophores NMR Molecular Modelling)
Looking for 1-2 yrs funding to complete my Ph.D. in Chemistry. Thesis: 'A Study of Conformational Analysis and Molecular Dynamics by NMR' (University of St. Andrews 1999-2003 Dr. F.G. Riddell)
i. F.G. Riddell, Review: Structure, Conformation, and Mechanism in the Membrane Transport of Alkali Metal Ions by Ionophoric Antibiotics; Chirality, 2002, 14 (2-3), 121 (Cited: 44) ii. T. Matinek, F.G. Riddell, C. F. Wilson, The Conformations of Narasin Alkali Metal Complexes in Solution Determined by NMR...
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12-19-2013 05:34 AM
[NMR paper] An approach to protein homology modelling based on an ensemble of NMR structures: app
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Protein Eng. 1995 Jul;8(7):615-25
Authors: Adzhubei AA, Laughton CA, Neidle S
A new approach has been developed to reduce multiple protein structures obtained from NMR structure analysis to a smaller number of representative structures which still reflect the structural diversity of...
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08-22-2010 03:41 AM
[NMR paper] 1H and 13C NMR assignments and molecular modelling of a minor groove DNA-binding pept
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Int J Pept Protein Res. 1995 Jun;45(6):554-60
Authors: Evans JN, Zajicek J, Nissen MS, Munske G, Smith V, Reeves R
The HMG-I subfamily of high mobility group (HMG) chromatin proteins consists of DNA-binding proteins that preferentially bind to stretches of A.T-rich sequence both in vitro and in vivo....
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08-22-2010 03:41 AM
[NMR paper] Binding of sugar ligands to Ca(2+)-dependent animal lectins. I. Analysis of mannose b
Binding of sugar ligands to Ca(2+)-dependent animal lectins. I. Analysis of mannose binding by site-directed mutagenesis and NMR.
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J Biol Chem. 1994 Jun 3;269(22):15505-11
Authors: Iobst ST, Wormald MR, Weis WI, Dwek RA, Drickamer K
The Ca(2+)-dependent carbohydrate-recognition domain (CRD) of rat serum mannose-binding protein has been subjected to site-directed mutagenesis to determine the...
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08-22-2010 03:33 AM
[NMR paper] Binding of sugar ligands to Ca(2+)-dependent animal lectins. I. Analysis of mannose b
Binding of sugar ligands to Ca(2+)-dependent animal lectins. I. Analysis of mannose binding by site-directed mutagenesis and NMR.
Related Articles Binding of sugar ligands to Ca(2+)-dependent animal lectins. I. Analysis of mannose binding by site-directed mutagenesis and NMR.
J Biol Chem. 1994 Jun 3;269(22):15505-11
Authors: Iobst ST, Wormald MR, Weis WI, Dwek RA, Drickamer K
The Ca(2+)-dependent carbohydrate-recognition domain (CRD) of rat serum mannose-binding protein has been subjected to site-directed mutagenesis to determine the...
STD NMR and molecular modelling insights into interaction of novel mannose-based ligands with DC-SIGN.
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