Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P15309
UPID:
PPAP_HUMAN
Alternative names:
5'-nucleotidase; Acid phosphatase 3; Ecto-5'-nucleotidase; Protein tyrosine phosphatase ACP3; Thiamine monophosphatase
Alternative UPACC:
P15309; D3DNC6; Q5FBY0; Q96KY0; Q96QK9; Q96QM0
Background:
Prostatic acid phosphatase, also known as Acid phosphatase 3, Ecto-5'-nucleotidase, and Protein tyrosine phosphatase ACP3, exhibits diverse functions including dephosphorylation of substrates under acidic conditions, lipid phosphatase activity, and inactivation of lysophosphatidic acid. It acts as a tumor suppressor in prostate cancer through dephosphorylation of ERBB2 and deactivation of MAPK-mediated signaling. Additionally, it has ecto-5'-nucleotidase activity in dorsal root ganglion neurons, generating adenosine from AMP, which acts as a pain suppressor.
Therapeutic significance:
Understanding the role of Prostatic acid phosphatase could open doors to potential therapeutic strategies, particularly in the context of prostate cancer suppression, pain management, and possibly in the modulation of HIV infection through its interaction with SEVI amyloid fibrils.