Article-Journal

Structure-Based Discovery of Allosteric Modulators of Two Related Class B G-Protein-Coupled Receptors

Abstract Despite the availability of X-ray crystal structure data for several members of the G-protein-coupled receptor (GPCR) superfamily, structure-based discovery of GPCR …

De Graaf, C.

Synthesis and biological properties of conjugates between fluoroquinolones and a N3′′-functionalized pyochelin

Pyochelin is a siderophore common to Pseudomonas aeruginosa and several other pathogenic bacteria.

Noël, S.

Pyochelin Enantiomers and Their Outer-Membrane Siderophore Transporters in Fluorescent Pseudomonads: Structural Bases for Unique Enantiospecific Recognition

Pyochelin (Pch) and enantiopyochelin (EPch) are enantiomeric siderophores, with three chiral centers, produced under iron limitation conditions by Pseudomonas aeruginosa and …

Brillet, K.

Oligomeric-Induced Activity by Thienyl Pyrimidine Compounds Traps Prion Infectivity

Accumulation of PrPSc, an abnormal form of cellular prion protein (PrP), in the brain of animals and humans leads to fatal neurodegenerative disorders known as prion diseases.

Ayrolles-Torro, A.

Synthesis, biological evaluation, and automated docking of constrained analogues of the opioid peptide H-Dmt-D-Ala-Phe-Gly-NH₂ using the 4- or 5-methyl substituted 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one scaffold.

The Phe(3) residue of the N-terminal tetrapeptide of dermorphin (H-Dmt-d-Ala-Phe-Gly-NH(2)) was conformationally constrained using 4- or 5-methyl-substituted …

De Wachter, R.

Agonist-dependent effects of mutations in the sphingosine-1-phosphate type 1 receptor

The sphingosine-1-phosphate type 1 (S1P1) receptor is a new target in the treatment of auto-immune diseases as evidenced by the recent approval of FTY720 (Fingolimod).

Van Loenen, P. B.

Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)

Maraviroc is a nonpeptidic small molecule human immunodeficiency virus type 1 (HIV-1) entry inhibitor that has just entered the therapeutic arsenal for the treatment of patients.

Garcia-Perez, J.

Similar interactions of natural products with biosynthetic enzymes and therapeutic targets could explain why nature produces such a large proportion of existing drugs

Covering: up to the end of 2010 Natural products are made by nature through interaction with biosynthetic enzymes.

Kellenberger, E.

Enhancing the Accuracy of Chemogenomic Models with a Three-Dimensional Binding Site Kernel

Computational chemogenomic (or proteochemometric) methods predict target–ligand interactions by training machine learning algorithms on known experimental data in order to …

Meslamani, J.

Flavonoids as inhibitors of human CD38

CD38 is a multifunctional enzyme which is ubiquitously distributed in mammalian tissues.

Kellenberger, E.