ATPase Focused Libraries

ATPases are enzymes that convert ATP to ADP through hydrolysis of a phosphate bond. The energy released during this process is utilized for catalysis of other cellular reactions. Thus, ATPases are crucial enzymes engaged in energy homeostasis and signal transduction.

Life Chemicals offers ATPase Focused Libraries prepared with 2D fingerprint similarity search against two different reference databases using MDL public keys and 85 % Tanimoto similarity cut-off 

ATPase Focused Library I (ChEMBL DB)

A set of 4,500 carefully selected off-the-shelf compounds obtained by means of similarity search against ChEMBL database. The following ATPases were considered as targets:

  • ATPase family AAA domain-containing protein 5
  • Potassium-transporting ATPase
  • Vacuolar H+-ATPase
ATPase Focused Library II (PubChem DB)

Initially, a reference database of biologically active compounds based on 127 ATPase related assays was compiled, using the data available from patents, scientific publications and other sources. A list of selected targets from the 127 assays reference set is represented below:

  • p97 ATPase
  • SV40 T antigen (inhibit the ATPase activity of Tag - tumor antigen)
  • Hsp70 protein (GST-tagged ATPase domain)
  • ATPase - based assay for small molecule DnaK Modulators targeting the beta-domain
  • Inhibitors of Dynein Mediated Cargo Transport on Microtubules
  • Sic1-GFP Fusion Protein
  • CS receptor on Na+-ATPase
  • Inhibition of V-ATPase activity in African green monkey COS7 cells
  • Inhibition of Escherichia coli RecA by ADP-linked fluorescent ATPase assay
  • RecA ATPase inhibitors
  • Saccharomyces cerevisiae V-ATPase subunit B
  • Na+/K+ ATPase (including inhibition of rat kidney Na+/K+ ATPase)
  • Inhibition or activation of verapamil-stimulated ATPase activity of P-glycoprotein
  • Inhibition of Escherichia coli 60 kD a chaperonin groEL I493C mutant ATPase activity
  • SecA ATPase
  • B2 subunit of vacuolar H+-ATPase (V-ATPase)
  • Pgp-ATPase activity
  • ATPase activity of Eg5
  • H+/K+ ATPase from pig gastric mucosa
  • cardiac SR-CA2+-pumping ATPase
  • Kinesin spindle protein (KSP)
  • Hsp90 ATPase activity
  • MRP1 ATPase activity
  • DNA gyrase B ATPase activity
  • VCP(valosin-containing protein)
  • V-type proton ATPase subunit B
  • ABCB1

At the next step, with the aid of similarity search based on 2D molecular fingerprints, a library of 3,300 compounds has been designed.