Article-Journal | Chemogenomics Structural Group

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.

• Jun 1, 2005 • 1 min read

Solution Structure of the C-terminal Domain of TFIIH P44 Subunit Reveals a Novel Type of C4C4 Ring Domain Involved in Protein-Protein Interactions

The human general transcription factor TFIIH is involved in both transcription and DNA nucleotide excision repair.

Kellenberger, E.

• May 27, 2005 • 1 min read

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.

• Feb 1, 2005 • 1 min read

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.

• Feb 1, 2005 • 1 min read

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.

• Nov 1, 2004 • 1 min read

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.

• Oct 29, 2004 • 1 min read

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.

• Oct 8, 2004 • 1 min read

Structure of the His44 → Ala Single Point Mutant of the Distal Finger Motif of HIV-1 Nucleocapsid Protein: A Combined NMR, Molecular Dynamics Simulation, and Fluorescence Study

The nucleocapsid protein (NCp7) of human immunodeficiency virus type 1 (HIV-1) contains two highly conserved CCHC zinc fingers that strongly bind Zn2+ through coordination of one …

Stote, R. H.

• Jun 1, 2004 • 1 min read

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.

• May 1, 2004 • 1 min read

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.

• Apr 30, 2004 • 1 min read