Latest papers

PGVL Hub: An integrated desktop tool for medicinal chemists to streamline design and synthesis of chemical libraries and singleton compounds.

Design of targeted libraries against the human Chk1 kinase using PGVL Hub.

GLARE: A tool for product-oriented design of combinatorial libraries.

LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically.

The design, annotation, and application of a kinase-targeted library.

CLEVER: A general design tool for combinatorial libraries.

Structure-based and property-compliant library design of 11β-HSD1 adamantyl amide inhibitors.

Docking methods for structure-based library design.

A scalable approach to combinatorial library design.

Chemoinformatics and library design.

Historical overview of chemical library design.

NMR screening and hit validation in fragment based drug discovery.

MIF as a disease target: ISO-1 as a proof-of-concept therapeutic.

Involvement of autocrine CXCL12/CXCR4 system in the regulation of ovarian carcinoma cell invasion.

Discovery of a quorum sensing modulator pharmacophore by 3D small-molecule microarray screening.

Structure-activity relationships of substituted 1-pyridyl-2-phenyl-1,2-ethanediones: potent, selective carboxylesterase inhibitors.

Identification of antibiotics using small molecule variable ligand display on gold nanoparticles.

GSK4112, a small molecule chemical probe for the cell biology of the nuclear heme receptor Rev-erbα.

GSK4112, a small molecule chemical probe for the cell biology of the nuclear heme receptor Rev-erbα.

An interview with Hakim Djaballah, Ph.D. Interview by Vicki Glaser.