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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9ULI0
UPID:
ATD2B_HUMAN
Alternative names:
-
Alternative UPACC:
Q9ULI0; B9ZVQ5; Q6ZNA6; Q8N9E7
Background:
ATPase family AAA domain-containing protein 2B plays a crucial role in cellular processes by utilizing the energy from ATP hydrolysis to perform mechanical work, including unfolding proteins and disassembling protein complexes. Its precise cellular functions and mechanisms of action are subjects of ongoing research, highlighting its importance in cellular biology.
Therapeutic significance:
Understanding the role of ATPase family AAA domain-containing protein 2B could open doors to potential therapeutic strategies. Its involvement in fundamental cellular processes suggests that modulating its activity could have implications for treating diseases where protein homeostasis is disrupted.