Applications of isothermal titration calorimetry in pure and applied research—survey of the literature from 2010

R Ghai, RJ Falconer, BM Collins - Journal of Molecular …, 2012 - Wiley Online Library
Isothermal titration calorimetry (ITC) is a biophysical technique for measuring the formation
and dissociation of molecular complexes and has become an invaluable tool in many …

Fragment-based drug discovery campaigns guided by native mass spectrometry

LM Sternicki, SA Poulsen - RSC Medicinal Chemistry, 2024 - pubs.rsc.org
Native mass spectrometry (nMS) is well established as a biophysical technique for
characterising biomolecules and their interactions with endogenous or investigational small …

Entropy–enthalpy transduction caused by conformational shifts can obscure the forces driving protein–ligand binding

AT Fenley, HS Muddana, MK Gilson - … of the National Academy of Sciences, 2012 - pnas.org
Molecular dynamics simulations of unprecedented duration now can provide new insights
into biomolecular mechanisms. Analysis of a 1-ms molecular dynamics simulation of the …

Rational design of thermodynamic and kinetic binding profiles by optimizing surface water networks coating protein-bound ligands

SG Krimmer, J Cramer, M Betz, V Fridh… - Journal of medicinal …, 2016 - ACS Publications
A previously studied congeneric series of thermolysin inhibitors addressing the solvent-
accessible S2′ pocket with different hydrophobic substituents showed modulations of the …

Surface modification of HSA containing magnetic PLGA nanoparticles by poloxamer to decrease plasma protein adsorption

QTH Shubhra, J Tóth, J Gyenis, T Feczkó - Colloids and Surfaces B …, 2014 - Elsevier
Lifetime prolongation for hydrophobic drug carriers has been the focus of interest for many
years. Poloxamer (Pluronic F68, PF68) has been employed in this study for modifying the …

The small molecule drug discovery process–from target selection to candidate selection

M Stocks - Introduction to biological and small molecule drug …, 2013 - Elsevier
Drug discovery of small molecules from target selection through to clinical evaluation is a
very complex, challenging but rewarding area of drug discovery. There are many obstacles …

The transcription factor STAT5 catalyzes Mannich ligation reactions yielding inhibitors of leukemic cell proliferation

EL Wong, E Nawrotzky, C Arkona, BG Kim… - Nature …, 2019 - nature.com
Protein-templated fragment ligations have been established as a powerful method for the
assembly and detection of optimized protein ligands. Initially developed for reversible …

Introduction to Biological and Small Molecule Drug Research and Development: Chapter 5. Similarities and differences in the discovery and use of …

J Samanen - 2013 - books.google.com
Biotechnology has given rise to a broad range of biotherapies or biologics, including
biomolecular drugs, vaccines, cell or gene therapies. This chapter focuses on biomolecular …

Discovery of the first inhibitors of bacterial enzyme D-aspartate ligase from Enterococcus faecium (Aslfm)

V Škedelj, A Perdih, M Brvar, A Kroflič… - European Journal of …, 2013 - Elsevier
The d-aspartate ligase of Enterococcus faecium (Asl fm) is an attractive target for the
development of narrow-spectrum antibacterial agents that are active against multidrug …

[HTML][HTML] Unveiling the therapeutic potential of BAP from crystallographic analysis to protein docking and anticancer assessment in MCF-7 human breast cancer cells

SA Raj, V Preethi, VG Vidya, VGV Kumar - Results in Chemistry, 2024 - Elsevier
The 4-aminoantipyrine derivatives comprising both N-and O-donor modes generate novel
coordination assemblies which tend to exhibit anti-tumor activities. Crystallographic study of …