Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y376
UPID:
CAB39_HUMAN
Alternative names:
MO25alpha; Protein Mo25
Alternative UPACC:
Q9Y376; A8K8L7
Background:
Calcium-binding protein 39, also known as MO25alpha or Protein Mo25, plays a crucial role in cellular processes by being a part of a complex that activates STK11/LKB1. This activation is essential for stabilizing the interaction between CAB39/MO25 and STK11/LKB1, highlighting its significance in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Calcium-binding protein 39 could open doors to potential therapeutic strategies. Its involvement in the activation of STK11/LKB1 suggests its potential impact on diseases where these pathways are dysregulated.