Kumar, Amit, Lars Kuhn, and Jochen Balbach. “In-Cell NMR: Analysis of Protein–Small Molecule Interactions, Metabolic Processes, and Protein Phosphorylation.” International Journal of Molecular Sciences 20, no. 2 (January 17, 2019): 378.
Nuclear magnetic resonance (NMR) spectroscopy enables the non-invasive observation of biochemical processes, in living cells, at comparably high spectral and temporal resolution. Preferably, means of increasing the detection limit of this powerful analytical method need to be applied when observing cellular processes under physiological conditions, due to the low sensitivity inherent to the technique. In this review, a brief introduction to in-cell NMR, protein–small molecule interactions, posttranslational phosphorylation, and hyperpolarization NMR methods, used for the study of metabolites in cellulo, are presented. Recent examples of method development in all three fields are conceptually highlighted, and an outlook into future perspectives of this emerging area of NMR research is given.
[NMR paper] NOAH: NMR Supersequences for Small Molecule Analysis and Structure Elucidation
NOAH: NMR Supersequences for Small Molecule Analysis and Structure Elucidation
Nested NMR experiments combining up to five conventional NMR pulse sequences into one supersequence are introduced. The core 2D NMR techniques routinely employed in small molecule NMR spectroscopy, such as HSQC, HMQC, HMBC, COSY, NOESY, TOCSY, and similar, can be recorded in a single measurement. In this way the data collection time may be dramatically reduced and sample throughput increased for basic NMR applications, such as structure elucidation and verification in synthetic, medicinal, and natural product...
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08-18-2017 04:59 PM
[NMR paper] NOAH - NMR Supersequences for Small Molecule Analysis and Structure Elucidation
NOAH - NMR Supersequences for Small Molecule Analysis and Structure Elucidation
Nested NMR experiments combining up to five conventional NMR pulse sequences into one supersequence are introduced. The core two-dimensional NMR techniques routinely employed in small molecule NMR, such as HSQC, HMQC, HMBC, COSY, NOESY, TOCSY and similar, can be recorded in a single measurement dramatically reducing the data collection time and increasing sample throughput for basic NMR applications to structure elucidation and verification in synthetic, medicinal and natural product chemistry.
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06-30-2017 06:14 PM
[NMR paper] Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials.
Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials.
Related Articles Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials.
J Mol Recognit. 2016 Jan 24;
Authors: Krishnarjuna B, Lim SS, Devine SM, Debono CO, Lam R, Chandrashekaran IR, Jaipuria G, Yagi H, Atreya HS, Scanlon MJ, MacRaild CA, Scammells PJ, Norton RS
Abstract
Plasmodium falciparum apical membrane antigen 1...
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01-26-2016 03:40 PM
[NMR paper] Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery.
J Med Chem. 2015 Nov 24;
Authors: Arntson KE, Pomerantz WC
Abstract
The 19F isotope is 100% naturally abundant and is the second most sensitive and stable NMR-active nucleus. Unlike the ubiquitous hydrogen atom, fluorine is nearly absent in biological systems, making it a unique bioorthogonal atom for probing molecular interactions in biology. Over 73...
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11-26-2015 12:13 AM
[NMR paper] TROSY NMR with a 52 kDa sugar transport protein and the binding of a small-molecule inhibitor.
TROSY NMR with a 52 kDa sugar transport protein and the binding of a small-molecule inhibitor.
Related Articles TROSY NMR with a 52 kDa sugar transport protein and the binding of a small-molecule inhibitor.
Mol Membr Biol. 2014 May 7;
Authors: Kalverda AP, Gowdy J, Thompson GS, Homans SW, Henderson PJ, Patching SG
Abstract
Abstract Using the sugar transport protein, GalP, from Escherichia coli, which is a homologue of human GLUT transporters, we have overcome the challenges for achieving high-resolution - and -methyl-TROSY NMR...
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05-09-2014 07:01 PM
Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors - Nature.com
Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors - Nature.com
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Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors
Nature.com
In hepatocytes, GK regulates glucose uptake and glycogen synthesis, suppresses glucose production3, 5, and is subject to the endogenous inhibitor GK regulatory protein (GKRP)6, 7, 8. During fasting, GKRP binds, inactivates and ..... 1H-, 13C- and 19F ...
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11-16-2013 03:09 AM
[NMR paper] Screening protein-small molecule interactions by NMR.
Screening protein-small molecule interactions by NMR.
Related Articles Screening protein-small molecule interactions by NMR.
Methods Mol Biol. 2013;1008:389-413
Authors: Davis B
Abstract
Nuclear magnetic resonance (NMR) is well suited to probing the interactions between ligands and macromolecular receptors. It is a truly label-free technique, requiring only the presence of atoms (usually (1)H or (19)F) which give rise to observable resonances on either the ligand or the receptor. A number of parameters associated with these resonances can...
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06-05-2013 06:53 PM
[CNS Yahoo group] How to add bond between protein residue and a small molecule in CNS
How to add bond between protein residue and a small molecule in CNS
Dear All, I'm stuck in a step where in i need to connect a bond an amino acid residue and a small molecule in CNS Thank you. Joseph
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