Kellenberger, E.

Fluorescent Derivatives of AC-42 To Probe Bitopic Orthosteric/Allosteric Binding Mechanisms on Muscarinic M1 Receptors

Two fluorescent derivatives of the M1 muscarinic selective agonist AC-42 were synthesized by coupling the lissamine rhodamine B fluorophore (in ortho and para positions) to …

Daval, S. 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.

Flavonoids as inhibitors of human CD38

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

Kellenberger, E.

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.

Small Neutralizing Molecules to Inhibit Actions of the Chemokine CXCL12

The chemokine CXCL12 and the receptor CXCR4 play pivotal roles in normal vascular and neuronal development, in inflammatory responses, and in infectious diseases and cancer.

Hachet-Haas, M.

Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems

Structure-based virtual screening is a promising tool to identify putative targets for a specific ligand.

Kellenberger, E.

How to measure the similarity between protein ligand-binding sites?

Quantification of local similarity between protein 3D structures is a promising tool in computer-aided drug design and prediction of biological function.

Kellenberger, E.