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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
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.