Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q07812
UPID:
BAX_HUMAN
Alternative names:
Bcl-2-like protein 4
Alternative UPACC:
Q07812; A8K4W1; P55269; Q07814; Q07815; Q8WZ49; Q9NR76; Q9NYG7; Q9UCZ6; Q9UCZ7; Q9UQD6
Background:
Apoptosis regulator BAX, also known as Bcl-2-like protein 4, plays a pivotal role in the mitochondrial apoptotic process. Under normal conditions, BAX remains cytosolic, preventing toxic accumulation at the mitochondrial outer membrane. Stress conditions trigger a conformation change, leading to cytochrome c release and apoptosis initiation.
Therapeutic significance:
Understanding the role of Apoptosis regulator BAX could open doors to potential therapeutic strategies.