Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q15121
UPID:
PEA15_HUMAN
Alternative names:
15 kDa phosphoprotein enriched in astrocytes; Phosphoprotein enriched in diabetes
Alternative UPACC:
Q15121; B1AKZ3; O00511
Background:
Astrocytic phosphoprotein PEA-15, also known as a 15 kDa phosphoprotein enriched in astrocytes and phosphoprotein enriched in diabetes, plays a pivotal role in cellular processes. It blocks Ras-mediated inhibition of integrin activation and modulates the ERK MAP kinase cascade. Additionally, it inhibits RPS6KA3 activities by retaining it in the cytoplasm, regulates apoptosis by inhibiting CASP8 activity, and controls glucose transport through SLC2A1 and SLC2A4.
Therapeutic significance:
Understanding the role of Astrocytic phosphoprotein PEA-15 could open doors to potential therapeutic strategies. Its involvement in key cellular processes such as apoptosis regulation and glucose transport suggests its potential as a target in treating diseases related to these pathways.