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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P07108
UPID:
ACBP_HUMAN
Alternative names:
Diazepam-binding inhibitor; Endozepine
Alternative UPACC:
P07108; B8ZWD2; B8ZWD6; B8ZWD7; P08869; Q4VWZ6; Q53SQ7; Q6IB48; Q9UCI8
Background:
The Acyl-CoA-binding protein, also known as Diazepam-binding inhibitor or Endozepine, plays a crucial role in cellular metabolism by binding medium- and long-chain acyl-CoA esters with high affinity. This protein's ability to interact with the benzodiazepine recognition site on the GABA type A receptor suggests a potential regulatory role in neurotransmission.
Therapeutic significance:
Understanding the role of Acyl-CoA-binding protein could open doors to potential therapeutic strategies.