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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q16829
UPID:
DUS7_HUMAN
Alternative names:
Dual specificity protein phosphatase PYST2
Alternative UPACC:
Q16829; Q2M3J7; Q8NFJ0
Background:
Dual specificity protein phosphatase 7 (DSP7), also known as PYST2, exhibits high specificity towards MAPK1/ERK2, influencing key cellular processes. Its activity extends to MAPK14 and MAPK8, playing a pivotal role in oocyte meiotic resumption, nuclear envelope breakdown, and chromosome alignment during cell division. DSP7's ability to inactivate cPKC isozyme PRKCB, and potentially PRKCA and PRKCG, underscores its critical function in cell cycle regulation.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase 7 could open doors to potential therapeutic strategies. Its involvement in crucial cellular processes such as cell cycle regulation and meiotic resumption in oocytes highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.