Rognan, D.

Delineating a Ca2+ Binding Pocket within the Venus Flytrap Module of the Human Calcium-sensing Receptor

The Ca2+-sensing receptor (CaSR) belongs to the class III G-protein-coupled receptors (GPCRs), which include receptors for pheromones, amino acids, sweeteners, and the …

Silve, C.

Design of Small-Sized Libraries by Combinatorial Assembly of Linkers and Functional Groups to a Given Scaffold: Application to the Structure-Based Optimization of a Phosphodiesterase 4 Inhibitor

Combinatorial chemistry and library design have been reconciled by applying simple medicinal chemistry concepts to virtual library design.

Krier, M.

Synthesis of (±)-2-O-[4‘-(N-9‘ ‘-Purinyl)butyl] myo-Inositol 1,4,5-Tris(phosphate), a Potent Full Agonist at the d-myo-Inositol 1,4,5-Tris(phosphate) Receptor

Racemic 2-O-[4‘(9‘ ‘-N-purinyl)butyl] myo-inositol 1,4,5-tris(phosphate) 8 was synthesized starting from myo-inositol.

Moris, M.

N,N‘-Linked Oligoureas as Foldamers: Chain Length Requirements for Helix Formation in Protic Solvent Investigated by Circular Dichroism, NMR Spectroscopy, and Molecular Dynamics

N,N‘-Linked oligoureas with proteinogenic side chains are peptide backbone mimetics belonging to the γ-peptide lineage.

Violette, A.

Key Amino Acids Located within the Transmembrane Domains 5 and 7 Account for the Pharmacological Specificity of the Human V1b Vasopressin Receptor

In mammals, the vasopressin V(1b) receptor (V(1b)-R) is known to regulate ACTH secretion and, more recently, stress and anxiety.

Derick, S.

A Three-dimensional Model of the Neprilysin 2 Active Site Based on the X-ray Structure of Neprilysin IDENTIFICATION OF RESIDUES INVOLVED IN SUBSTRATE HYDROLYSIS AND INHIBITOR BINDING OF NEPRILYSIN 2

Neprilysin 2 (NEP2), a recently identified member of the M13 subfamily of metalloproteases, shares the highest degree of homology with the prototypical member of the family …

Voisin, S.

Functional Characterization of Sonic Hedgehog Mutations Associated with Holoprosencephaly

Mutations of the developmental gene Sonic hedgehog (SHH) and alterations of SHH signaling have been associated with holoprosencephaly (HPE), a rare disorder characterized by a …

Traiffort, E.

High-Throughput Modeling of Human G-Protein Coupled Receptors:  Amino Acid Sequence Alignment, Three-Dimensional Model Building, and Receptor Library Screening

The current study describes the development of a computer package (GPCRmod) aimed at the high-throughput modeling of the therapeutically important family of human G-protein coupled …

Bissantz, C.

Positive and Negative Allosteric Modulators of the Ca2+-sensing Receptor Interact within Overlapping but Not Identical Binding Sites in the Transmembrane Domain

A three-dimensional model of the human extracellular Ca2+-sensing receptor (CaSR) has been used to identify specific residues implicated in the recognition of two negative …

Petrel, C.

Recovering the true targets of specific ligands by virtual screening of the protein data bank

The Protein Data Bank (PDB) has been processed to extract a screening protein library (sc-PDB) of 2148 entries.

Paul, N.