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[NMR paper] Conformational analysis of a new peptide derived from feline immunodeficiency virus gp36 in SDS micelles: An NMR-MD based investigation
Jul 21, 2024 - 2:52 AM - by nmrlearner
nmrlearner's Avatar Conformational analysis of a new peptide derived from feline immunodeficiency virus gp36 in SDS micelles: An NMR-MD based investigation

Feline immunodeficiency virus (FIV) shares structural similarities with human immunodeficiency virus (HIV): the surface glycoprotein gp36 corresponds to the HIV gp41, which drives virus-host cell interactions and is targeted by the peptide entry inhibitor enfuvirtide. Following a similar drug design strategy for the development of an anti-FIV therapy, the present study investigates ^(627-646)gp36 NHR, a peptide sequence derived from a region of gp36 that was previously found to interfere with...

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0 Replies | 126 Views
[NMR paper] A study on anticancer and antioxidant ability of selected brown algae biomass yielded polysaccharide and their chemical and structural properties analysis by FT-IR and NMR analyses
Jul 20, 2024 - 2:50 PM - by nmrlearner
nmrlearner's Avatar A study on anticancer and antioxidant ability of selected brown algae biomass yielded polysaccharide and their chemical and structural properties analysis by FT-IR and NMR analyses

The study was conducted to determine the chemical and structural properties of polysaccharides extracted from the marine macroalgae Nemalion cari-cariense. Furthermore, evaluate the anticancer and free radical scavenging activity of purified N. cari-cariense polysaccharide. Approximately 41.6% (w/w) of crude polysaccharide was extracted from N. cari-cariense macroalgae biomass. After deproteinization, the purified polysaccharide's major chemical composition was found to be 92.6%, with all...

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0 Replies | 49 Views
[NMR paper] Gadolinium-Based NMR Spin Relaxation Measurements of Near-Surface Electrostatic Potentials of Biomolecules
Jul 19, 2024 - 10:55 PM - by nmrlearner
nmrlearner's Avatar Gadolinium-Based NMR Spin Relaxation Measurements of Near-Surface Electrostatic Potentials of Biomolecules

NMR spectroscopy is an important tool for the measurement of the electrostatic properties of biomolecules. To this point, paramagnetic relaxation enhancements (PREs) of H nuclei arising from nitroxide cosolutes in biomolecular solutions have been used to measure effective near-surface electrostatic potentials (?(ENS)) of proteins and nucleic acids. Here, we present a gadolinium (Gd)-based NMR method, exploiting Gd chelates with different net charges, for measuring ?(ENS) values and demonstrate...

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0 Replies | 67 Views
[NMR paper] A method for estimation of plasma protein binding using diffusion ordered NMR spectroscopy (DOSY)
Jul 19, 2024 - 10:41 AM - by nmrlearner
nmrlearner's Avatar A method for estimation of plasma protein binding using diffusion ordered NMR spectroscopy (DOSY)

The plasma protein binding (PPB) of a drug plays a key role in both its pharmacokinetic and pharmacodynamic properties. During lead optimisation, medium and high throughput methods for the early determination of PPB can provide important information about potential PKPD profile within a chemotype or between different chemotype series. Diffusion ordered spectroscopy (DOSY) is an NMR spectroscopic technique that measures the diffusion of a molecule through the magnetic field gradient, according to...

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0 Replies | 57 Views
[NMR paper] Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses
Jul 18, 2024 - 10:40 AM - by nmrlearner
nmrlearner's Avatar Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses

Mucosa-associated lymphoid tissue lymphoma-translocation protein 1 (MALT1) is an attractive target for the development of modulatory compounds in the treatment of lymphoma and other cancers. While the three-dimensional structure of MALT1 has been previously determined through X-ray analysis, its dynamic behaviour in solution has remained unexplored. We present here dynamic analyses of the apo MALT1 form along with the E549A mutation. This investigation used NMR ^(15)N relaxation and NOE...

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0 Replies | 48 Views
[NMR paper] Magic-angle spinning NMR structure of Opa60 in lipid bilayers
Jul 18, 2024 - 10:40 AM - by nmrlearner
nmrlearner's Avatar Magic-angle spinning NMR structure of Opa60 in lipid bilayers

Here we report the structure of Opa60 in lipid bilayers using proton-detected magic-angle spinning nuclear magnetic resonance (MAS NMR). Preparations including near-native oligosaccharide lipids reveal a consistent picture of a stable transmembrane beta barrel with a minor increase in the structured region as compared with the previously reported detergent structure. The large variable loops known to interact with host proteins could not be detected, confirming their dynamic nature even in a...

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0 Replies | 32 Views
[NMR paper] (19)F Fast Magic-Angle Spinning NMR Spectroscopy on Microcrystalline Complexes of Fluorinated Ligands and the Carbohydrate Recognition Domain of Galectin-3
Jul 18, 2024 - 10:40 AM - by nmrlearner
nmrlearner's Avatar (19)F Fast Magic-Angle Spinning NMR Spectroscopy on Microcrystalline Complexes of Fluorinated Ligands and the Carbohydrate Recognition Domain of Galectin-3

Structural characterization of protein-ligand binding interfaces at atomic resolution is essential for improving the design of specific and potent inhibitors. Herein, we explored fast ^(19)F- and H-detected magic angle spinning NMR spectroscopy to investigate the interaction between two fluorinated ligand diastereomers with the microcrystalline galectin-3 carbohydrate recognition domain. The detailed environment around the fluorine atoms was mapped by 2D ^(13)C-^(19)F and H-^(19)F dipolar...

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0 Replies | 33 Views
Magic-angle-spinning NMR used to probe protein/microtubule assembly at atomic scale - Phys.org
Jul 16, 2024 - 11:25 AM - by nmrlearner
nmrlearner's Avatar Magic-angle-spinning NMR used to probe protein/microtubule assembly at atomic scale - Phys.org

Magic-angle-spinning NMR used to probe protein/microtubule assembly at atomic scale Phys.org Read here
0 Replies | 50 Views
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