NMR paper A method for estimation of plasma protein binding using diffusion ordered NMR spectroscopy (DOSY)

		BioNMR > Educational resources > Journal club
[NMR paper] A method for estimation of plasma protein binding using diffusion ordered NMR spectroscopy (DOSY)

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

07-19-2024, 10:41 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,574

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

A method for estimation of plasma protein binding using diffusion ordered NMR spectroscopy (DOSY)

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...

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Characterizing the Brownian Diffusion of Nanocolloids and Molecular Solutions: Diffusion Ordered NMR Spectroscopy versus Dynamic Light Scattering. Characterizing the Brownian Diffusion of Nanocolloids and Molecular Solutions: Diffusion Ordered NMR Spectroscopy versus Dynamic Light Scattering. Related Articles Characterizing the Brownian Diffusion of Nanocolloids and Molecular Solutions: Diffusion Ordered NMR Spectroscopy versus Dynamic Light Scattering. J Phys Chem B. 2020 May 01;: Authors: Zhang C, Jin Z, Zeng B, Wang W, Palui G, Mattoussi H Abstract Hydrodynamic size is a characteristic dimension that reflects the Brownian diffusion of objects, such as proteins,...	nmrlearner	Journal club	0	05-03-2020 02:46 PM
[NMR paper] 2D Diffusion-Ordered 1H-NMR Spectroscopy Lipidomic Profiling After Oral Single Macronutrient Loads: Influence of Obesity, Sex, and Female Androgen Excess. 2D Diffusion-Ordered 1H-NMR Spectroscopy Lipidomic Profiling After Oral Single Macronutrient Loads: Influence of Obesity, Sex, and Female Androgen Excess. Related Articles 2D Diffusion-Ordered 1H-NMR Spectroscopy Lipidomic Profiling After Oral Single Macronutrient Loads: Influence of Obesity, Sex, and Female Androgen Excess. Mol Nutr Food Res. 2020 Mar 18;:e1900928 Authors: Insenser M, Moncayo S, Martínez-García MÁ, Fernández-Durán E, Samino S, Álvarez-Blasco F, Luque-Ramírez M, Escobar-Morreale HF Abstract SCOPE: Postprandial...	nmrlearner	Journal club	0	03-19-2020 06:10 PM
Single-scan 13C diffusion-ordered NMR spectroscopy of DNP-hyperpolarised substrates #DNPNMR From The DNP-NMR Blog: Single-scan 13C diffusion-ordered NMR spectroscopy of DNP-hyperpolarised substrates #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Guduff, L., et al., Single-scan 13C diffusion-ordered NMR spectroscopy of DNP-hyperpolarised substrates. Chemistry, 2017: p. n/a-n/a. https://www.ncbi.nlm.nih.gov/pubmed/28857281	nmrlearner	News from NMR blogs	0	09-13-2017 08:48 PM
[NMR paper] Liposcale: a novel advanced lipoprotein test based on 2D diffusion-ordered 1H NMR spectroscopy. Liposcale: a novel advanced lipoprotein test based on 2D diffusion-ordered 1H NMR spectroscopy. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-standard-jlr_final.gif Related Articles Liposcale: a novel advanced lipoprotein test based on 2D diffusion-ordered 1H NMR spectroscopy. J Lipid Res. 2015 Mar;56(3):737-46 Authors: Mallol R, Amigó N, Rodríguez MA, Heras M, Vinaixa M, Plana N, Rock E, Ribalta J, Yanes O, Masana L, Correig X Abstract Determination of...	nmrlearner	Journal club	0	11-17-2015 02:57 PM
Journal Highlight: Use of diffusion-ordered NMR spectroscopy and HPLC–UV–SPE–NMR to identify undeclared synthetic drugs in medicines illegally sold as phytotherapies Journal Highlight: Use of diffusion-ordered NMR spectroscopy and HPLC–UV–SPE–NMR to identify undeclared synthetic drugs in medicines illegally sold as phytotherapies http://www.spectroscopynow.com/common/images/thumbnails/1416a874243.jpgThe advantages and limitations of DOSY and HPLC–UV–SPE–NMR for identifying the components of a formula illegally marketed in Brazil as a herbal medicine have been examined. Read the rest at Spectroscopynow.com	nmrlearner	General	0	09-30-2013 03:48 PM
Diffusion ordered nuclear magnetic resonance spectroscopy Diffusion ordered nuclear magnetic resonance spectroscopy More...	nmrlearner	General	0	07-15-2013 07:16 AM
Numerical estimation of relaxation and diffusion distributions in two dimensions Numerical estimation of relaxation and diffusion distributions in two dimensions April 2012 Publication year: 2012 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 62</br> </br> Graphical abstract	nmrlearner	Journal club	0	12-15-2012 09:51 AM
Numerical estimation of relaxation and diffusion distributions in two dimensions Numerical estimation of relaxation and diffusion distributions in two dimensions April 2012 Publication year: 2012 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 62</br> </br> Graphical abstract	nmrlearner	Journal club	0	12-01-2012 06:10 PM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off