Article-Journal

sc-PDB: a database for identifying variations and multiplicity of ‘druggable’ binding sites in proteins

The sc-PDB database is an annotated archive of druggable binding sites extracted from the Protein Data Bank.

Meslamani, J.

New Insights into the Mechanisms whereby Low Molecular Weight CCR5 Ligands Inhibit HIV-1 Infection

CC chemokine receptor 5 (CCR5) is a G-protein-coupled receptor for the chemokines CCL3, -4, and -5 and a coreceptor for entry of R5-tropic strains of human immunodeficiency virus …

Garcia-Perez, J.

Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme

Schistosomiasis is a major tropical parasitic disease.

Kuhn, I.

Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements

Predicting off-targets by computational methods is getting increasing importance in early drug discovery stages.

Franchi, E. D.

Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites

Inferring the biological function of a protein from its three-dimensional structure as well as explaining why a drug may bind to various targets is of crucial importance to modern …

Weill, N.

Structure-Based Approaches to Target Fishing and Ligand Profiling

Chemogenomics is an emerging interdisciplinary field aiming at identifying all possible ligands of all possible targets.

Rognan, D.

Estrogen Receptor Alpha as a Key Target of Red Wine Polyphenols Action on the Endothelium

Background A greater reduction in cardiovascular risk and vascular protection associated with diet rich in polyphenols are generally accepted; however, the molecular targets for …

Chalopin, M.

Increasing Selectivity of CC Chemokine Receptor 8 Antagonists by Engineering Nondesolvation Related Interactions with the Intended and Off-Target Binding Sites

The metabolic stability and selectivity of a series of CCR8 antagonists against binding to the hERG ion channel and cytochrome Cyp2D6 are studied by principal component analysis.

Shamovsky, I.

Molecular determinants of non-competitive antagonist binding to the mouse GPRC6A receptor

GPRC6A displays high sequence homology to the Ca2+-sensing receptor (CaSR).

Faure, H.

Stereospecificity of the Siderophore Pyochelin Outer Membrane Transporters in Fluorescent Pseudomonads

Pyochelin (Pch) and enantio-pyochelin (EPch) are enantiomer siderophores that are produced by Pseudomonas aeruginosa and Pseudomonas fluorescens, respectively, under iron …

Hoegy, F.