ATPases, also known as adenosine triphosphatases, are a class of enzymes that catalyze the hydrolysis of adenosine triphosphate (ATP) into adenosine diphosphate (ADP) and phosphate ions. Currently, there are four types of ATPases (P, V, F and ABC types) that operate within biological membranes. The energy released during the catalytic hydrolysis of ATPases is used to catalyze other cellular reactions. Thus, ATPases are key enzymes involved in energy homeostasis and signal transduction. In addition, mutations in these proteins relate to many diseases ranging from cancer to those affecting the bones (osteoporosis), ears (hearing), eyes (macromolecular degeneration), heart (hypercholesterolemia/cardiac arrest), immune system (immune deficiency diseases), kidneys (nephrotoxicity), lungs (cystic fibrosis), pancreas (diabetes and cystic fibrosis), skin (Darier disease) and stomach (ulcers).
BOC Sciences has designed its proprietary ATPase focused screening library containing over 8,800 drug-like screening compounds.
Figure 1. ATPase copper transporter A contributes to cisplatin resistance in breast cancer cells. (Yu, Z.; et al. 2020)
Library Design
a. Firstly, 30,000 reference compounds with reported activity values below 11 uM are screened by employing a 2D fingerprint similarity search (85% Tanimoto similarity cut-off). Therefore, a set of over 5,000 structurally diverse screening compounds with potential ATPase inhibitory activity against different target types can be generated successfully
The following ATPases are selected as drug targets:
|
|
b. Then, our experienced experts use databases from different sources to filter the HTS compound collection against a reference set of 13,000 bioactive compounds from 127 ATPase-related assays
The list of targets selected in this reference set is shown below:
|
|
c. Finally, approximately 3,800 potential ATPase inhibitors are selected using the 75% Tanimoto similarity
ATPase Focused Library Characteristics
- No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
- All PAIN and reactive compounds are excluded from selection by internal filter applications
- Confirmed bioactivity and safety via preclinical studies and clinical trials
- Structural diversity, significant efficacy, and cellular penetration
- All compounds are continually updated
- Compound cherry-picking service is available
What We Deliver
- Delivered within 2 weeks in any customer-preferred format
- Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
- All compounds have a minimum purity of 90% assessed by 1H NMR and HPLC
- Analytical data is provided
BOC Sciences provides professional, rapid and high-quality services of ATPase Focused Library design at competitive prices for global customers. Personalized and customized services of ATPase Focused Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!
Reference
- Yu, Z.; et al. ATPase copper transporter A, negatively regulated by miR8a, contributes to cisplatin resistance in breast cancer cells. Clinical and Translational Medicine. 2020. 10(1).
