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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P55957
UPID:
BID_HUMAN
Alternative names:
p22 BID
Alternative UPACC:
P55957; Q549M7; Q71T04; Q7Z4M9; Q8IY86
Background:
BH3-interacting domain death agonist, also known as p22 BID, plays a pivotal role in apoptosis by inducing caspases and countering the protective effect of BCL2. Its ability to trigger the release of cytochrome c underscores its importance in the apoptotic pathway.
Therapeutic significance:
Understanding the role of BH3-interacting domain death agonist could open doors to potential therapeutic strategies.