These groups of compounds possess structural features and molecular lattices that are representative of agents described in the patent and/or technical literature with the activity designated below. In addition, medicinal chemistry judgment has also been implemented in the selection process to provide libraries that promise lead identification in an expedited manner. These groups have also been filtered to contain only those compounds that fall within favorable molecular weight parameters.

Currently available libraries

CNS Modulators ActiTarg-CNS ActiTarg-CNS is a structurally diverse set of compounds with CNS (central nervous system) physicochemical properties targeting primarily three general receptor groups: serotonin, dopamine, and acetylcholine. Each receptor family in its downstream signaling pathways commands broad spectrum of neurological processes.
HDAC Inhibitors ActiTarg-H Collection of HDAC (Histone deacetylase) inhibitors gathers 1,700 compounds-analogs to known HDAC approved therapies across all classes
GPCR Ligands ActiTarg-G G-protein coupled receptors are a ubiquitous super family of proteins with hundreds of members having been identified and cloned. These receptors generally have a seven-membrane spanning alpha-helical topography, and while these receptors are similar in overall structure and function, they differ in key amino acid residues. The potential for this super family of receptors to reveal small molecule modulators of a significant biological function has been responsible the focus of intense drug discovery efforts.
Kinase Modulators ActiTarg-K Among the many strategies to cancer therapeutics, protein kinase inhibition has emerged as particularly viable and promising approach. This interest has been stimulated by an understanding of the key role this broad family of phosphorylating enzymes plays in controlling proliferative processes, as well as the success of agents like GleevecTM, imatinib in the treatment chronic myleloid leukemia and certain solid tumors. Along with this tyrosine kinase inhibitor, many other agents that inhibit this, and other cell cycle regulating kinases CDK's, are currently being developed for the treatment of cancer and immune system disorders.
Protease Inhibitors ActiTarg-P To meet the interest and needs of investigators who are trying to identify low molecular weight, drug-like molecules with the ability to inhibit various proteases, TimTec has assembled a library of compounds with potential protease inhibitory activity.
Serine Proteinase Inhibitors ActiTarg-S
Includes analogs to a group of serine proteinase inhibitors (serpins) that are known to be similar in amino acid sequence and mechanism of inhibition, yet differentiate in their specificity toward proteolytic enzymes as it is reported in technical literature.
Potassium Channel Modulators ActiTarg-I Low molecular weight, drug-like molecules with chemical lattices found in agents with the posted channel activity have been assembled.
Nuclear Receptor Ligands ActiTarg-N Collection of analogs selected from a compound pool with cumulative structural features that are inherent across some 90 known nuclear receptors ligands.

 

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Anti-Inflammatory
Low molecular weight drug-like compounds with fragments found in known non-steroidal anti-inflammatory drugs


Anti-infectives

Low molecular weight, drug-like molecules with scaffolds found in agents with the indicated activity have been assembled.

O-GlcNAc Transferase Inhibitors
A small targeted compound collections of over 150 compounds-analogs based on three validated O-GlcNAc Transferase inhibitors (following the results of the discovery at Department of Microbiology and Molecular Genetics, HUMS)

Activators of Neutrophils
Compounds affecting neutrophil function.

Inhibitors of Anthrax LF
Compounds inhibiting Anthrax Lethal Factor

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Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management