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.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P10415
UPID:
BCL2_HUMAN
Alternative names:
-
Alternative UPACC:
P10415; C9JHD5; P10416; Q13842; Q16197
Background:
Apoptosis regulator Bcl-2 plays a pivotal role in cell survival, regulating mitochondrial membrane permeability and inhibiting caspase activity, thus suppressing apoptosis in various cell systems. It also acts as an autophagy inhibitor by interacting with BECN1 and AMBRA1, and may reduce inflammation by impairing NLRP1-inflammasome activation.
Therapeutic significance:
Understanding the role of Apoptosis regulator Bcl-2 could open doors to potential therapeutic strategies, especially in diseases where apoptosis and autophagy play critical roles.