NMR methods in fragment screening: theory and a comparison with other biophysical techniques

C Dalvit - Drug Discovery Today, 2009 - Elsevier
Nuclear magnetic resonance, surface plasmon resonance and fluorescence spectroscopy
(particularly fluorescence anisotropy and fluorescence lifetime) are techniques often applied …

Mimicking nature's noses: From receptor deorphaning to olfactory biosensing

R Glatz, K Bailey-Hill - Progress in neurobiology, 2011 - Elsevier
The way in which organisms detect specific volatile compounds within their environment,
and the associated neural processing which produces perception and subsequent …

The maximal and current accuracy of rigorous protein-ligand binding free energy calculations

GA Ross, C Lu, G Scarabelli, SK Albanese… - Communications …, 2023 - nature.com
Computational techniques can speed up the identification of hits and accelerate the
development of candidate molecules for drug discovery. Among techniques for predicting …

Biosensor-based small molecule fragment screening with biolayer interferometry

CA Wartchow, F Podlaski, S Li, K Rowan… - Journal of computer …, 2011 - Springer
Biosensor-based fragment screening is a valuable tool in the drug discovery process. This
method is advantageous over many biochemical methods because primary hits can be …

Fragment screening by surface plasmon resonance

I Navratilova, AL Hopkins - ACS Medicinal Chemistry Letters, 2010 - ACS Publications
Fragment-based drug discovery is a validated approach for the discovery of drug
candidates. However, the weak affinity of fragment compounds requires highly sensitive …

From experimental design to validated hits: a comprehensive walk-through of fragment lead identification using surface plasmon resonance

AM Giannetti - Methods in enzymology, 2011 - Elsevier
The detection and characterization of fragment binding requires the use of technologies with
extreme sensitivity to observe the binding interactions of low-affinity and low-molecular …

[HTML][HTML] Antiviral, virucidal and antioxidant properties of Artemisia annua against SARS-CoV-2

M Baggieri, S Gioacchini, G Borgonovo… - Biomedicine & …, 2023 - Elsevier
Natural products are a rich source of bioactive molecules that have potential
pharmacotherapeutic applications. In this study, we focused on Artemisia annua (A. annua) …

Exploring “one-shot” kinetics and small molecule analysis using the ProteOn XPR36 array biosensor

T Bravman, V Bronner, K Lavie, A Notcovich… - Analytical …, 2006 - Elsevier
A ProteOn XPR36 parallel array biosensor was used to characterize the binding kinetics of a
set of small molecule/enzyme interactions. Using one injection with the ProteOn's …

Iterative in situ click chemistry creates antibody‐like protein‐capture agents

HD Agnew, RD Rohde, SW Millward… - Angewandte Chemie …, 2009 - Wiley Online Library
Special agents for protein capture: Iterative in situ click chemistry (see scheme for the tertiary
ligand screen) and the one‐bead–one‐compound method for the creation of a peptide …

Label‐free determination of protein–ligand binding constants using mass spectrometry and validation using surface plasmon resonance and isothermal titration …

MC Jecklin, S Schauer, CE Dumelin… - Journal of Molecular …, 2009 - Wiley Online Library
We performed a systematic comparison of three label‐free methods for quantitative
assessment of binding strengths of proteins interacting with small molecule ligands. The …