General Targeted Libraries are meant to be the broad pre-selection of compounds with certain biological activity from our main data base. The have been made using both receptor based or ligand based approach

Ligand Based Approach:

-  Kinase Targeted Libraries :

• 2D Fingerprint similarity methodology: over 74 000 compounds
• Docking (CDK2, GSK3, PKB, SRC (2 structures), EGFR) and subsequent general pharmacophore filtering: over 20 000 compounds

-  Ion Channel Targeted Libraries (over 65 000 compounds): 2D Fingerprint similarity methodology

-  GPCR Targeted Libraries  (29 000 compounds including peptidergic GPCRs - 2 700 compounds): 2D Fingerprint   similarity

-  Nuclear Receptor Targeted Libraries :

• 2D Fingerprint similarity methodology (16 receptors): over 13 000 
  compounds
• docking and filtering by 4 pharmacophore models (Thyroid Hormone Receptor, Human Glucocorticoid (2 forms), Retinoic Acid Receptor)

-  Protease Targeted Libraries (over 42 000 compounds): 

• Cysteine protease: 2D Fingerprint similarity methodology
• Trypsin-like serine proteases, Factor Xa and Thrombin: pharmacophore search and virtual ligand screening
• Matrix metalloproteases, Carbonic anhydrase: pharmacophore search
• Chymotrypsin: virtual ligand screening.

Activity Targeted Libraries:

• Anticancer Targeted Libraries (31 000 compounds): 2D Fingerprint similarity methodology
• Antibacterial Targeted Library (44 000 compounds): 2D Fingerprint similarity methodology
• Antiviral Targeted Library (26 000 compounds): 2D Fingerprint similarity methodology
• Analgesic Targeted Library (8 800 compounds): 2D Fingerprint similarity methodology
• CNS Targeted Library (5 200 compounds): CNS filter

Other Targeted Libraries

• Phosphatase Targeted Libraries (46 000 compounds): 2D Fingerprint similarity methodology
• HIV Protease and HIV Reverse Transcriptase (8 200 compounds): virtual ligand screening
• Glutamate Receptors Targeted Libraries (over 37 000 compounds): 2D Fingerprint similarity methodology
• Methyltransferase Targeted Library (3 200 compounds): 2D Fingerprint similarity methodology
• Protein-Protein Interaction Library (34 000 compounds): 2D Fingerprint similarity methodology

Recently we have also collected information on the experimental biological activity of some of our compounds. This data is presented in form of a library called Biologically Active Compounds including over 7 000 molecules.