Spin-lattice relaxation time in drug discovery and design.
NMR is one of the most powerful techniques for ligand-biomolecule interaction studies and drug screening and design. There are several methods that are strongly used, including chemical shift perturbation (CSP), saturation transfer difference (STD) and diffusion coefficients. However, one of the most useful and easy to apply NMR parameters in medicinal chemistry studies is the spin-lattice relaxation data, which can be employed to investigate the strength and topology of intermolecular interactions, such as drug-drug, drug-protein, drug-DNA, drug-micelle (or vesicle) and biomolecule-biomolecule interactions. This review deals with the newest applications of T(1) in different studies of interest for drug design and evaluation.
Figueroa-Villar
José Daniel
JD
Medicinal Chemistry Group, Department of Chemistry, Military Institute of Engineering, Rio de Janeiro, 22290-270, R.J., Brazil. figueroa@ime.eb.br
Tinoco
Luzineide Wanderley
LW
D015195:Drug Design; D055808:Drug Discovery / Q000379:methods; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry*
D008024:Ligands; D011506:Proteins