Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q93096
UPID:
TP4A1_HUMAN
Alternative names:
PTP(CAAXI); Protein-tyrosine phosphatase 4a1; Protein-tyrosine phosphatase of regenerating liver 1
Alternative UPACC:
Q93096; B2R6C8; O00648; Q49A54
Background:
Protein tyrosine phosphatase type IVA 1, known alternatively as PTP(CAAXI), Protein-tyrosine phosphatase 4a1, and Protein-tyrosine phosphatase of regenerating liver 1, plays a pivotal role in cell cycle progression, specifically facilitating the transition from G1 to S phase during mitosis. Its involvement in enhancing cell proliferation, motility, and invasive activity underscores its significance in tissue development and maintenance, particularly in epithelial tissues.
Therapeutic significance:
Understanding the role of Protein tyrosine phosphatase type IVA 1 could open doors to potential therapeutic strategies. Its capacity to promote cancer metastasis highlights its importance as a target for developing interventions aimed at controlling tumor spread and progression.