Focused On-demand Library for Apoptosis inhibitor 5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 use our state-of-the-art dedicated workflow for designing 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9BZZ5

UPID:

API5_HUMAN

Alternative names:

Antiapoptosis clone 11 protein; Cell migration-inducing gene 8 protein; Fibroblast growth factor 2-interacting factor; Protein XAGL

Alternative UPACC:

Q9BZZ5; B4DGR0; B4DRJ2; B4E283; D3DR21; G3V1C3; O15441; Q9Y4J7

Background:

Apoptosis Inhibitor 5, known by alternative names such as Antiapoptosis clone 11 protein, Cell migration-inducing gene 8 protein, Fibroblast growth factor 2-interacting factor, and Protein XAGL, plays a crucial role in cellular processes. It acts as an antiapoptotic factor, potentially involved in protein assembly and negatively regulates ACIN1. By binding to ACIN1, it prevents ACIN1 cleavage from CASP3 and inhibits ACIN1-mediated DNA fragmentation. Additionally, it is efficient in suppressing E2F1-induced apoptosis.

Therapeutic significance:

Understanding the role of Apoptosis Inhibitor 5 could open doors to potential therapeutic strategies, especially in enhancing the cytotoxic action of chemotherapeutic drugs through its depletion.